SCHEMBL12219555

SCHEMBL12219555

CC(=O)SCC[n+]1ccc(/C=C/c2ccc(N(CCO)CCO)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.46
▸ CHRM4 P08173 2/20 0.46
▸ CHRM5 P08912 2/20 0.46
▸ CHRM1 P11229 2/20 0.46
▸ CHRM3 P20309 2/20 0.46
▸ KDM4A O75164 4/20 0.39
▸ KDM2A Q9Y2K7 4/20 0.39
▸ MEN1 O00255 4/20 0.33
▸ MAPT P10636 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ BRCA1 P38398 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HBB P68871 1/20 0.33
▸ ALPG P10696 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ HTT P42858 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12658268 0.92 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13694975 0.84 KDM4A (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10104204 0.84 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19003828 0.81 CHRM2 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL18774410 0.80 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19649274 0.80 CYP19A1 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL18986924 0.80 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
Iodide SCHEMBL7034965 0.80 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL18986923 0.80 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
Iodide SCHEMBL7034960 0.80 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11278482-B2 Process for dyeing keratin materials using at least one blue, purple or green dye and at least one disulfide, thiol or protected thiol fluorescent dye L'OREAL (FR) 2022-03-22 — — US disclosed
US-20200179255-A1 PROCESS FOR DYEING KERATIN MATERIALS USING AT LEAST ONE BLUE, PURPLE OR GREEN DYE AND AT LEAST ONE DISULFIDE, THIOL OR PROTECTED THIOL FLUORESCENT DYE L'OREAL (FR) 2020-06-11 — — US disclosed
EP-2651374-B1 PROCESS FOR DYEING KERATIN FIBRES USING A DIRECT DYE BEARING A DISULFIDE/THIOL/PROTECTED THIOL FUNCTION AND WATER VAPOUR L'ORÉAL (FR) 2018-02-28 — — EP disclosed
EP-2677996-B1 COMPOSITION FOR DYEING KERATINOUS FIBRES COMPRISING A DIRECT DYE HAVING A DISULPHIDE/THIOL FUNCTIONAL GROUP, A THICKENING POLYMER, AN ETHOXYLATED FATTY ALCOHOL AND/OR A NONIONIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT L'ORÉAL (FR) 2017-11-29 — — EP disclosed
EP-2677995-B1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A DIRECT DYE BEARING A DISULFIDE/THIOL FUNCTION, A NONIONIC SURFACTANT, AN AMPHOTERIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT L'ORÉAL (FR) 2017-04-26 — — EP disclosed
US-9522106-B2 Composition for dyeing keratinous fibres comprising a direct dye having a disulphide/thiol functional group, a thickening polymer, an ethoxylated fatty alcohol and/or a nonionic surfactant, an alkaline agent and a reducing agent L'OREAL (FR) 2016-12-20 — — US disclosed
US-9345652-B2 Composition for dyeing keratin fibres comprising a direct dye bearing a disulphide/thiol function, a sparingly or non-ethoxylated fatty alcohol, a cationic surfactant, an alkaline agent and a reducing agent L'OREAL (FR) 2016-05-24 — — US disclosed
US-9271915-B2 Composition for dyeing keratin fibres comprising a direct dye bearing a disulphide/thiol function, a non-cellulose-based thickening polymer, an alkaline agent and a reducing agent L'OREAL (FR) 2016-03-01 — — US disclosed
US-9265705-B2 Composition for dyeing keratin fibres comprising a direct dye bearing a disulphide/thiol function, a nonionic surfactant, an amphoteric surfactant, an ethoxylated fatty alcohol, an alkaline agent and a reducing agent L'OREAL (FR) 2016-02-23 — — US disclosed
US-8840684-B2 Process for dyeing keratin fibres using a direct dye bearing a disulfide/thiol/protected thiol function and water vapour L'OREAL (FR) 2014-09-23 — — US disclosed
US-20140137342-A1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A DIRECT DYE BEARING A DISULPHIDE/THIOL FUNCTION, A NONIONIC SURFACTANT, AN AMPHOTERIC SURFACTANT, AN ETHOXYLATED FATTY ALCOHOL, AN ALKALINE AGENT AND A REDUCING AGENT L'OREAL (FR) 2014-05-22 — — US disclosed
US-20140075687-A1 COMPOSITION FOR DYEING KERATINOUS FIBRES COMPRISING A DIRECT DYE HAVING A DISULPHIDE/THIOL FUNCTIONAL GROUP, A THICKENING POLYMER, AN ETHOXYLATED FATTY ALCOHOL AND/OR A NONIONIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT L'OREAL (FR) 2014-03-20 — — US disclosed
US-20140041132-A1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A DIRECT DYE BEARING A DISULPHIDE/THIOL FUNCTION, A NON-CELLULOSE-BASED THICKENING POLYMER, AN ALKALINE AGENT AND A REDUCING AGENT L'OREAL (FR) 2014-02-13 — — US disclosed
US-20130283544-A1 PROCESS FOR DYEING KERATIN FIBRES USING A DIRECT DYE BEARING A DISULFIDE/THIOL/PROTECTED THIOL FUNCTION AND WATER VAPOUR L'OREAL (FR) 2013-10-31 — — US disclosed
US-8038732-B2 Fluorescent entity, dyeing composition containing at least one fluorescent entity, and method for lightening keratin materials using said at least one fluorescent entity L'OREAL S.A. (FR) 2011-10-18 — — US disclosed
EP-2004757-B1 DYEING COMPOSITION CONTAINING A THIOL/DISULPHIDE FLUORESCENT COLORANT COMPRISING AMINE GROUPS AND HAVING AN INTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT OREAL (FR) 2011-05-04 — — EP disclosed
US-20100287714-A1 DYE COMPOSITION CONTAINING A THIOL/DISULPHIDE FLUORESCENT DYE COMPRISING AMINO GROUPS AND COMPRISING AN INTERNAL CATIONIC CHARGE, PROCESS FOR LIGHTENING KERATIN MATERIALS USING THIS DYE L'ORÉAL (FR) 2010-11-18 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130283544-A1 PROCESS FOR DYEING KERATIN FIBRES USING A DIRECT DYE BEARING A DISULFIDE/THIOL/PROTECTED THIOL FUNCTION AND WATER VAPOUR KRT18, TST, PDIA5 CHRM2 2838/4885CHRM4 3289/4885CHRM5 2209/4885
US-20140137342-A1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A DIRECT DYE BEARING A DISULPHIDE/THIOL FUNCTION, A NONIONIC SURFACTANT, AN AMPHOTERIC SURFACTANT, AN ETHOXYLATED FATTY ALCOHOL, AN ALKALINE AGENT AND A REDUCING AGENT KRT18, ANXA4, S100A4 CHRM2 2747/4885CHRM4 2521/4885CHRM5 1915/4885
US-20200179255-A1 PROCESS FOR DYEING KERATIN MATERIALS USING AT LEAST ONE BLUE, PURPLE OR GREEN DYE AND AT LEAST ONE DISULFIDE, THIOL OR PROTECTED THIOL FLUORESCENT DYE KRT18, IK, CUTA CHRM2 3381/4885CHRM4 3329/4885CHRM5 2864/4885
US-20100287714-A1 DYE COMPOSITION CONTAINING A THIOL/DISULPHIDE FLUORESCENT DYE COMPRISING AMINO GROUPS AND COMPRISING AN INTERNAL CATIONIC CHARGE, PROCESS FOR LIGHTENING KERATIN MATERIALS USING THIS DYE KRT18, DSG1, KRTCAP2 CHRM2 4622/4885CHRM4 4610/4885CHRM5 3917/4885
US-11278482-B2 Process for dyeing keratin materials using at least one blue, purple or green dye and at least one disulfide, thiol or protected thiol fluorescent dye KRT18, IK, CUTA CHRM2 3381/4885CHRM4 3329/4885CHRM5 2864/4885
US-20140041132-A1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A DIRECT DYE BEARING A DISULPHIDE/THIOL FUNCTION, A NON-CELLULOSE-BASED THICKENING POLYMER, AN ALKALINE AGENT AND A REDUCING AGENT KRT18, DSG1, KLK5 CHRM2 3502/4885CHRM4 2814/4885CHRM5 2243/4885
US-20140075687-A1 COMPOSITION FOR DYEING KERATINOUS FIBRES COMPRISING A DIRECT DYE HAVING A DISULPHIDE/THIOL FUNCTIONAL GROUP, A THICKENING POLYMER, AN ETHOXYLATED FATTY ALCOHOL AND/OR A NONIONIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT KRT18, ESD, ADH5 CHRM2 2882/4885CHRM4 2411/4885CHRM5 1424/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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