SCHEMBL671814

SCHEMBL671814

CC=CCC.CC=CCC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.39
TSHR P16473 1/20 0.37
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FFAR1 O14842 1/20 0.32
MAPT P10636 1/20 0.32
CYP19A1 P11511 1/20 0.32
RXRA P19793 1/20 0.32
PPARG P37231 1/20 0.32
OXER1 Q8TDS5 1/20 0.32

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
SCHEMBL118763 1.00
SCHEMBL25429748 1.00 TRPA1 (0.39) TRPA1TSHRALDH1A1MAPK1TDP1
SCHEMBL20191 1.00
SCHEMBL26536 1.00
Hydrogen Sulfide SCHEMBL15282522 0.96 TRPA1 (0.37) TRPA1TSHRALDH1A1MAPK1TDP1
Fluoride SCHEMBL11292635 0.96
SCHEMBL1276396 0.96
SCHEMBL1276395 0.96
SCHEMBL9701719 0.96 TRPA1 (0.37) TRPA1TSHRALDH1A1MAPK1TDP1
SCHEMBL2580294 0.96 TRPA1 (0.37) TRPA1TSHRALDH1A1MAPK1TDP1

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2016059-B1 TRIAZINE DERIVATIVES BASF SE (DE) 2016-12-07 EP disclosed
EP-2606095-B1 DISULFIDE OR THIOL POLYMERIC HAIR DYES BASF SE (DE) 2016-10-12 EP disclosed
EP-1890669-B1 CATIONIC OLIGOMERIC AZO DYES BASF SE (DE) 2016-08-10 EP disclosed
US-20160208103-A1 STYRYL SULFIDE DYES BASF SE (DE) 2016-07-21 US disclosed
EP-3041904-A1 STYRYL SULFIDE DYES BASF SE (DE) 2016-07-13 EP disclosed
WO-2015059368-A1 METHOD FOR DYEING KERATIN FIBRES USING CATIONIC STYRYL DISULPHIDE DYES, AND COMPOSITION INCLUDING SAID DYES L'OREAL (FR) 2015-04-30 WO disclosed
WO-2015028543-A1 STYRYL SULFIDE DYES BASF SE (DE) 2015-03-05 WO disclosed
EP-1893697-B1 NITROSULFIDE DYES BASF SE (DE) 2014-04-23 EP disclosed
US-8641783-B2 Disulfide or thiol polymeric hair dyes BASF SE (DE) 2014-02-04 US disclosed
EP-2075036-B1 COMPOSITION FOR DYEING KERATIN CONTAINING FIBRES COMPRISING DISULFIDE DYES AND METHOD BASF SE (DE) 2013-11-06 EP disclosed
EP-1893695-A2 STYRYL SULFIDE DYES Ciba Specialty Chemicals Holding Inc. (CH) 2008-03-05 EP disclosed
EP-1890669-A1 CATIONIC OLIGOMERIC AZO DYES Ciba Specialty Chemicals Holding Inc. (CH) 2008-02-27 EP disclosed
WO-2008009579-A1 POLYMERIC HAIR DYES CIBA HOLDING INC. (CH) 2008-01-24 WO disclosed
WO-2007128744-A2 TRIAZINE DERIVATIVES CIBA HOLDING INC. (CH) 2007-11-15 WO disclosed
EP-1750663-A2 DISULFIDE DYES, COMPOSITION COMPRISING THEM AND METHOD OF DYEING HAIR CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-02-14 EP disclosed
WO-2006136516-A2 SULFIDE DYES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-12-28 WO disclosed
WO-2006136518-A2 NITROSULFIDE DYES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-12-28 WO disclosed
WO-2006134051-A1 CATIONIC OLIGOMERIC AZO DYES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-12-21 WO disclosed
WO-2006134043-A2 STYRYL SULFIDE DYES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-12-21 WO disclosed
WO-2005097051-A2 DISULFIDE DYES, COMPOSITION COMPRISING THEM AND METHOD OF DYEING HAIR CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-10-20 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 (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-20160208103-A1 STYRYL SULFIDE DYES C1R, C1S, C5 TRPA1 514/4885TSHR 700/4885ALDH1A1 917/4885

“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.