SCHEMBL663362

SCHEMBL663362

Cc1cccc2c(N=C=O)cc(N=C=O)cc12

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.54
TRPA1 O75762 1/20 0.54
CYP1A2 P05177 6/20 0.39
CYP2A6 P11509 3/20 0.39
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
HPGD P15428 2/20 0.37
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
MAPK1 P28482 1/20 0.33
DAO P14920 1/20 0.32
DDO Q99489 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.32
PARP1 P09874 2/20 0.31
TNKS O95271 1/20 0.31
GLO1 Q04760 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
SCHEMBL2158055 0.81 GABRA1 (0.50) CYP3A4TRPA1CYP1A2ALDH1A1TDP1
SCHEMBL12206125 0.80 CYP3A4 (0.61) CYP3A4TRPA1CYP1A2CYP2A6ALDH1A1
Toluene Diisocyanate SCHEMBL8646723 0.79 CYP3A4 (0.77) CYP3A4TRPA1CYP1A2ALDH1A1TDP1
SCHEMBL11229161 0.78 CYP3A4 (0.52) CYP3A4TRPA1CYP1A2ALDH1A1TDP1
SCHEMBL9824695 0.75 CYP3A4 (0.50) CYP3A4TRPA1CYP1A2CYP2A6ALDH1A1
SCHEMBL663309 0.74 CYP3A4 (0.46) CYP3A4TRPA1CYP1A2ALDH1A1TDP1
SCHEMBL29642622 0.74 CYP3A4 (0.46) CYP3A4TRPA1CYP1A2ALDH1A1TDP1
Toluene Diisocyanate SCHEMBL11209945 0.73 CYP3A4 (0.96) CYP3A4TRPA1CYP1A2ALDH1A1TDP1
SCHEMBL11664855 0.73 CYP1A2 (0.52) CYP3A4TRPA1CYP1A2CYP2A6ALDH1A1
SCHEMBL11436578 0.72 CYP3A4 (0.46) CYP3A4TRPA1CYP1A2ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371504-B2 Use of acrylate copolymers as soil antiredeposition agents and soil release agents in laundry processes BASF SE (DE) 2016-06-21 US claimed
CN-104145012-A USE OF ACRYLATE COPOLYMERS AS SOIL ANTIREDEPOSITION AGENTS AND SOIL RELEASE AGENTS IN LAUNDRY PROCESSES BASF SE 2014-11-12 CN claimed
US-20140287974-A1 USE OF ACRYLATE COPOLYMERS AS SOIL ANTIREDEPOSITION AGENTS AND SOIL RELEASE AGENTS IN LAUNDRY PROCESSES BASF SE (DE) 2014-09-25 US claimed
EP-2771446-A1 USE OF ACRYLATE COPOLYMERS AS SOIL ANTIREDEPOSITION AGENTS AND SOIL RELEASE AGENTS IN LAUNDRY PROCESSES BASF SE (DE) 2014-09-03 EP claimed
WO-2013060706-A1 USE OF ACRYLATE COPOLYMERS AS SOIL ANTIREDEPOSITION AGENTS AND SOIL RELEASE AGENTS IN LAUNDRY PROCESSES BASF SE (DE) 2013-05-02 WO claimed
EP-2344112-A1 SUNSCREEN AND PERSONAL CARE COMPOSITIONS COMPRISING A RANDOM TERPOLYMER BASF SE (DE) 2011-07-20 EP claimed
US-20100129303-A1 SUNSCREEN AND PERSONAL CARE COMPOSITIONS COMPRISING A RANDOM TERPOLYMER BASF SE (DE) 2010-05-27 US claimed
US-20100104610-A1 Color cosmetics comprising a random terpolymer BASF SE (DE) 2010-04-29 US claimed
WO-2010043588-A1 SUNSCREEN AND PERSONAL CARE COMPOSITIONS COMPRISING A RANDOM TERPOLYMER BASF SE (DE) 2010-04-22 WO claimed
EP-2152230-A2 SUNSCREEN COMPOSTIONS COMPRISING A RANDOM TERPOLYMER BASF SE (DE) 2010-02-17 EP claimed
WO-2008122517-A2 SUNSCREEN COMPOSITIONS COMPRISING A RANDOM TERPOLYMER BASF SE (CH) 2008-10-16 WO claimed
US-20080247976-A1 water-resistant cosmetic or dermatological compositions for the UV-photoprotection of human skin and/or hair with enhanced stability to water DUEVA-KOGANOV OLGA V 2008-10-09 US claimed
EP-0694532-B1 Perfluoroalkyl sulfide, sulfone, polysulfone and polysulfide diols CIBA SC HOLDING AG (CH) 2000-05-31 EP claimed
US-5708119-A POLYURETHANES FOR WATERPROOFING AND OIL REPELLENTS CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-01-13 US claimed
US-5663273-A APPLYING TO IMPART OIL AND WATER REPELLENCY CIBA-GEIGY CORPORATION (US) 1997-09-02 US claimed
EP-0694532-A1 Perfluoroalkyl sulfide, sulfone, polysulfone and polysulfide diols CIBA-GEIGY AG (CH) 1996-01-31 EP claimed
EP-0690039-A2 Poly-perfluoroalkyl-substituted alcohols and acids, and derivatives thereof CIBA-GEIGY AG (CH) 1996-01-03 EP claimed
US-5200493-A Polyurethanes and polythiourethanes; protective coatings; oil repellents; waterproofing; antisoilants CIBA-GEIGY CORPORATION (US) 1993-04-06 US claimed
US-9371504-B2 Use of acrylate copolymers as soil antiredeposition agents and soil release agents in laundry processes BASF SE (DE) 2016-06-21 US disclosed
US-3935277-A OIL AND WATER REPELLENT INTERMEDIATES CIBA-GEIGY CORPORATION (US) 1976-01-27 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-20080247976-A1 water-resistant cosmetic or dermatological compositions for the UV-photoprotection of human skin and/or hair with enhanced stability to water CUTA, POLR1C, MSH6 CYP3A4 3814/4885TRPA1 430/4885CYP1A2 2238/4885
US-20100129303-A1 SUNSCREEN AND PERSONAL CARE COMPOSITIONS COMPRISING A RANDOM TERPOLYMER MITF, TYR, MSH6 CYP3A4 920/4885TRPA1 166/4885CYP1A2 387/4885
US-20100104610-A1 Color cosmetics comprising a random terpolymer CUTA, TYR, MSH6 CYP3A4 2793/4885TRPA1 448/4885CYP1A2 2038/4885

“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.