SCHEMBL10104204

SCHEMBL10104204

OCCN(CCO)c1ccc(/C=C/c2cc[n+](CCSSCC[n+]3ccc(/C=C/c4ccc(N(CCO)CCO)cc4)cc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.48
▸ CHRM4 P08173 2/20 0.48
▸ CHRM5 P08912 2/20 0.48
▸ CHRM1 P11229 2/20 0.48
▸ CHRM3 P20309 2/20 0.48
▸ KDM4A O75164 4/20 0.40
▸ KDM2A Q9Y2K7 4/20 0.40
▸ CHAT P28329 2/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ BRCA1 P38398 1/20 0.34

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
SCHEMBL14402234 0.92 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19003828 0.88 CHRM2 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
Iodide SCHEMBL7034965 0.86 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
Iodide SCHEMBL7034960 0.86 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL18986923 0.86 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL18986924 0.86 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12219555 0.84 CHRM2 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL21980530 0.84 CHRM2 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL21980531 0.84 CHRM2 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1823100 0.84 CHRM2 (0.46) 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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-9730876-B2 Process for dyeing keratin fibres comprising a dye-pigment, a photoactive compound and a light source L'OREAL (FR) 2017-08-15 — — US 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
EP-2004759-B1 METHOD OF DYEING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DISULPHIDE DYE ORÉAL L (FR) 2016-05-11 — — EP 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-20150224041-A1 PROCESS FOR DYEING KERATIN FIBRES COMPRISING A DYE-PIGMENT, A PHOTOACTIVE COMPOUND AND A LIGHT SOURCE L'OREAL (FR) 2015-08-13 — — US disclosed
EP-2781556-A1 Method of colouring and lightening keratin materials in the presence of a reducing agent comprising a fluorescent disulphide dye L'Oréal (FR) 2014-09-24 — — EP disclosed
US-8038731-B2 hair dyes contains naphthylimide thiol or disulphide groups; resistant and visible lightening effect on dark keratin fibres; cosmetics L'OREAL S.A. (FR) 2011-10-18 — — 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
US-20090313769-A1 METHOD OF DYEING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DISULPHIDE DYE L'OREAL S.A. (FR) 2009-12-24 — — US disclosed
WO-2009109457-A2 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING AT LEAST ONE DIRECT DYE COMPRISING A DISULPHIDE/PROTECTED-THIOL FUNCTION AND AT LEAST ONE SILICEOUS COMPOUND COMPRISING A THIOL FUNCTION AND METHOD USING THE COMPOSITION L'OREAL (FR) 2009-09-11 — — WO disclosed
US-20090126755-A1 Hair compositions comprising at least one disulfide direct dye and at least one alkaline hydroxide agent and simultaneous hair shaping an dyeing processes L'OREAL S.A. (FR) 2009-05-21 — — US disclosed
EP-2053094-A2 Composition for dyeing keratinous fibres comprising at least one direct dye with disulphur/thiol function and at least one polymer with thiol function and method using the composition L'Oréal (FR) 2009-04-29 — — EP disclosed
EP-2018847-A1 Hair composition comprising at least one direct disulfide dye and at least one alkali hydroxide agent and method of simultaneous styling and dyeing. L'Oreal (FR) 2009-01-28 — — EP disclosed
WO-2007110537-A2 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 L'ORÉAL (FR) 2007-10-04 — — WO 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 (4 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-20150224041-A1 PROCESS FOR DYEING KERATIN FIBRES COMPRISING A DYE-PIGMENT, A PHOTOACTIVE COMPOUND AND A LIGHT SOURCE KRT18, IK, CUTA CHRM2 1654/4885CHRM4 1418/4885CHRM5 1110/4885
US-20090126755-A1 Hair compositions comprising at least one disulfide direct dye and at least one alkaline hydroxide agent and simultaneous hair shaping an dyeing processes KRT18, DSG1, ALPG CHRM2 4532/4885CHRM4 4159/4885CHRM5 4111/4885
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-20090313769-A1 METHOD OF DYEING AND LIGHTENING KERATIN MATERIALS IN THE PRESENCE OF A REDUCING AGENT COMPRISING A FLUORESCENT DISULPHIDE DYE KRT18, DSG1, KRTCAP2 CHRM2 4386/4885CHRM4 4040/4885CHRM5 3531/4885

“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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