SCHEMBL3853850

SCHEMBL3853850

C=CCN(CC=C)C(=O)CCCS

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.76
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
FOLH1 Q04609 1/20 0.33
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
CCR6 P51684 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL1656857 0.87 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2LMNAPOLBMAPT
SCHEMBL8068413 0.87 ALDH1A1 (0.91) ALDH1A1SMN1; SMN2LMNAPOLBMAPT
SCHEMBL7629952 0.85 ALDH1A1 (0.86) ALDH1A1SMN1; SMN2LMNAPOLBMAPT
SCHEMBL15049827 0.85 ALDH1A1 (0.86) ALDH1A1SMN1; SMN2LMNAPOLBMAPT
SCHEMBL13630658 0.85 ALDH1A1 (0.86) ALDH1A1SMN1; SMN2LMNAPOLBMAPT
SCHEMBL16350574 0.82 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2LMNAPOLBMAPT
SCHEMBL8106845 0.81 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2LMNAPOLBMAPT
SCHEMBL316404 0.79 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2LMNAPOLBMAPT
SCHEMBL13228838 0.79 ALDH1A1 (0.83) ALDH1A1SMN1; SMN2LMNAPOLBMAPT
SCHEMBL568962 0.78 ALDH1A1 (0.73) ALDH1A1LMNAMEN1KMT2A

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2677990-B1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A DIRECT DYE BEARING A DISULFIDE/THIOL FUNCTION, A SPARINGLY OR NON-ETHOXYLATED FATTY ALCOHOL, A CATIONIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT OREAL (FR) 2019-05-15 EP claimed
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 claimed
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 claimed
EP-1671622-B2 Hair protein assay method OREAL (FR) 2013-04-10 EP claimed
WO-2012113720-A2 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) 2012-08-30 WO claimed
EP-1671622-B1 Hair protein assay method OREAL (FR) 2009-04-08 EP claimed
US-20060140893-A1 Assay of hair proteins L'OREAL (FR) 2006-06-29 US claimed
EP-0514282-B1 Alkylamino mercaptoalkylamides or salts thereof acceptable for cosmetic use, their use as a reducing agent and a process for the permanent deformation of hair OREAL (FR) 1996-04-10 EP claimed
EP-0577473-B1 Reducing cosmetic composition for the permanent deformation of hair based on a mercaptoalkylamino-amide and process for the permanent deformation of hair OREAL (FR) 1995-12-20 EP claimed
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-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-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
WO-2012113720-A2 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) 2012-08-30 WO disclosed
US-20060140893-A1 Assay of hair proteins L'OREAL (FR) 2006-06-29 US disclosed
US-20050008666-A1 Extracts of nonfruiting nonphotosynthetic filamentous bacteria for strengthening keratin materials L'OREAL (FR) 2005-01-13 US disclosed
US-5989534-A Process for the permanent deformation of keratinous matter L'OREAL (FR) 1999-11-23 US disclosed
US-5833966-A APPLYING AQUEOUS MIXTURE OF CARBOXYLIC ACID, ALKALINIZING AMINO COMPOUND AND HYDROGEN PEROXIDE AS OXIDIZER; FOR SOFTNESS, NO SENSITIZATION TO HAIR DYES L'OREAL (FR) 1998-11-10 US disclosed
US-5803095-A Permanent wave compositions comprising substance P/CGRP antagonists SOCIETE L'OREAL S.A. (FR) 1998-09-08 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-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 ALDH1A1 97/4885SMN1; SMN2 4799/4885LMNA 1408/4885

“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.