SCHEMBL4621658

SCHEMBL4621658

CCCCCCCCS(=O)(=O)OC(=O)CCC(=O)OS(=O)(=O)CCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 6/20 0.46
CES1 P23141 5/20 0.46
DGKA P23743 1/20 0.44
FAAH O00519 5/20 0.43
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL9095203 1.00 CES2 (0.46) CES2CES1DGKAFAAHCA12
SCHEMBL9094766 1.00 CES2 (0.46) CES2CES1DGKAFAAHCA12
SCHEMBL9097583 1.00 CES2 (0.46) CES2CES1DGKAFAAHCA12
SCHEMBL9095001 1.00 CES2 (0.46) CES2CES1DGKAFAAHCA12
SCHEMBL27986037 1.00 CES2 (0.46) CES2CES1DGKAFAAHCA12
SCHEMBL9097097 1.00 CES2 (0.46) CES2CES1DGKAFAAHCA12
SCHEMBL9097723 1.00 CES2 (0.46) CES2CES1DGKAFAAHCA12
SCHEMBL28682840 0.98 CES2 (0.45) CES2CES1DGKAFAAHCA12
SCHEMBL28411960 0.98 CES2 (0.45) CES2CES1DGKAFAAHCA12
SCHEMBL29047527 0.98 CES2 (0.45) CES2CES1DGKAFAAHCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101071281-B Toner RICOH KK 2011-09-07 CN disclosed
EP-1369105-B1 Use and method for dyeing hair KAO CORP (JP) 2008-03-19 EP disclosed
EP-1398022-B1 Method of dyeing hair characterised by use of an azo dye containing a dissociative proton KAO CORP (JP) 2008-03-19 EP disclosed
CN-101071281-A Toner RICOH KK (JP) 2007-11-14 CN disclosed
EP-1240892-B1 Hair colouring method and composition comprising a ring-fused heterocycle direct dyestuff KAO CORP (JP) 2007-05-09 EP disclosed
EP-1275367-B1 Hair coloring composition comprising pyrazoloazole compounds KAO CORP (JP) 2006-11-29 EP disclosed
US-7083655-B2 Hair dye composition KAO CORPORATION (JP) 2006-08-01 US disclosed
US-7056355-B2 Hair dye composition and dyeing method KAO CORPORATION (JP) 2006-06-06 US disclosed
US-20050015896-A1 Hair dye composition and dyeing method KAO CORPORATION (JP) 2005-01-27 US disclosed
US-6783558-B2 USING A COMPOSITION COMPRISING A SPECIFIED RING-FUSED HETEROCYCLE DIRECT DYESTUFF; LONG LASTING BRILLIANT COLORS STABLE AGAINST WASHING KAO CORPORATION (JP) 2004-08-31 US disclosed
US-20030024059-A1 Hair colouring method and composition KAO CORPORATION (JP) 2003-02-06 US disclosed
EP-1275367-A1 Hair coloring composition comprising pyrazoloazole compounds KAO CORPORATION (JP) 2003-01-15 EP disclosed
EP-1240892-A2 Hair colouring method and composition comprising a ring-fused heterocycle direct dyestuff Kao Corporation (JP) 2002-09-18 EP disclosed
CN-1081951-C Use of ion exchange resins loaded with quioolonecarboxylic acid derivatives BAYER AG (DE) 2002-04-03 CN disclosed
CN-1054040-C Preparation of ion exchange resins carrying quinolone carboxylic acid derivatives BAYER AG (DE) 2000-07-05 CN disclosed
CN-1046302-C Particle adsorption method ROHM & HAAS (US) 1999-11-10 CN disclosed
CN-1108968-A Use of ion exchange resins loaded with quioolonecarboxylic acid derivatives BAYER AG (DE) 1995-09-27 CN disclosed
CN-1097781-A Be used to improve the water-fast multistage latex that causes the performance that bleaches of water base paint compositions ROHM & HAAS (US) 1995-01-25 CN disclosed
CN-1073959-A Particle adsorption method ROHM & HAAS (US) 1993-07-07 CN disclosed
CN-88103473-A Preparation and application of ion exchange resin loaded with quinolone carboxylic acid derivative 1988-12-28 CN 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 (2 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-20030024059-A1 Hair colouring method and composition TYR, SHH, CYBB CES2 1808/4885CES1 3599/4885DGKA 2430/4885
US-20050015896-A1 Hair dye composition and dyeing method SULT1A1, CYP21A2, SULT2A1 CES2 2167/4885CES1 1484/4885DGKA 4213/4885

“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.