SCHEMBL13327499

SCHEMBL13327499

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 6/20 0.33
▸ ACHE P22303 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CYP17A1 P05093 1/20 0.31
▸ CYP21A2 P08686 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ PHGDH O43175 1/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL19903955 0.94 ACHE (0.33) ACACBACHEL3MBTL1CYP17A1CYP21A2
SCHEMBL18774380 0.92 ACHE (0.31) ACACBACHE
SCHEMBL13327520 0.92 ACHE (0.31) ACACBACHEL3MBTL1CYP17A1CYP21A2
SCHEMBL13799669 0.91 — —
SCHEMBL13327502 0.90 PHGDH (0.34) ACACBACHECYP17A1CYP21A2CYP11B1
SCHEMBL13327497 0.88 PHGDH (0.33) ACHEPHGDH
SCHEMBL19649074 0.87 ACACB (0.35) ACACBCYP17A1CYP21A2CYP11B1PHGDH
SCHEMBL19649010 0.87 PHGDH (0.31) ACHEPHGDH
SCHEMBL19649238 0.87 — —
SCHEMBL13327519 0.80 PHGDH (0.35) ACACBACHECYP17A1CYP21A2CYP11B1

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 4 patents. 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
EP-2070988-B1 Styryl thiol/disulfide compound with a hydroxy(cyclo)alkylamino unit, process for lightening keratin materials using this dye ORÉAL L (FR) 2014-12-10 — — 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 (1 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-20090172897-A1 STYRYL THIOL/DISULFIDE COMPOUND WITH A HYDROXY(CYCLO)ALKYLAMINO UNIT, PROCESS FOR LIGHTENING KERATIN MATERIALS USING SAME KRT18, TST, CYBA ACACB 941/4885ACHE 3097/4885L3MBTL1 4206/4885

“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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