SCHEMBL13327520

SCHEMBL13327520

CCOC(=O)C(CSC(C)=O)NC(=O)C[n+]1ccc(/C=C/c2ccc(N3CC(O)C(O)C3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.31
▸ ACACB O00763 4/20 0.30
▸ CYP17A1 P05093 1/20 0.30
▸ CYP21A2 P08686 1/20 0.30
▸ CYP11B1 P15538 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ PHGDH O43175 1/20 0.30
▸ CTDSP1 Q9GZU7 1/20 0.30

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
SCHEMBL18774380 0.93 ACHE (0.31) ACHEACACB
SCHEMBL13327499 0.92 ACACB (0.33) ACHEACACBCYP17A1CYP21A2CYP11B1
SCHEMBL19903955 0.92 ACHE (0.33) ACHEACACBCYP17A1CYP21A2CYP11B1
SCHEMBL15356220 0.86 CHRM2 (0.30) —
SCHEMBL13799669 0.83 — —
SCHEMBL13327502 0.82 PHGDH (0.34) ACHEACACBCYP17A1CYP21A2CYP11B1
SCHEMBL13327507 0.80 CHRM2 (0.38) ACHEL3MBTL1CTDSP1
SCHEMBL13799717 0.80 — —
SCHEMBL19649074 0.80 ACACB (0.35) ACACBCYP17A1CYP21A2CYP11B1PHGDH
SCHEMBL19649238 0.80 — —

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 7 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-7717964-B2 Styryl thiol/disulfide compound with a hydroxy(cyclo)alkylamino unit, process for lightening keratin materials using same L'OREAL S.A. (FR) 2010-05-18 — — US disclosed
US-20090172897-A1 STYRYL THIOL/DISULFIDE COMPOUND WITH A HYDROXY(CYCLO)ALKYLAMINO UNIT, PROCESS FOR LIGHTENING KERATIN MATERIALS USING SAME L'OREAL S.A. (FR) 2009-07-09 — — 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 (3 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-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 ACHE 461/4885ACACB 1461/4885CYP17A1 2107/4885
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 ACHE 461/4885ACACB 1461/4885CYP17A1 2107/4885
US-20090172897-A1 STYRYL THIOL/DISULFIDE COMPOUND WITH A HYDROXY(CYCLO)ALKYLAMINO UNIT, PROCESS FOR LIGHTENING KERATIN MATERIALS USING SAME KRT18, TST, CYBA ACHE 3097/4885ACACB 941/4885CYP17A1 1313/4885

“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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