SCHEMBL665041

SCHEMBL665041

Cc1c(N=C=O)cc(N=C=O)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.53
TRPA1 O75762 1/20 0.43
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
RAD52 P43351 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
RAB9A P51151 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL1069318 0.78 CYP3A4 (0.41) CYP3A4TRPA1HPGDALDH1A1TDP1
SCHEMBL11436578 0.78 CYP3A4 (0.46) CYP3A4TRPA1HPGDALDH1A1TDP1
SCHEMBL28535587 0.78 CYP3A4 (0.50) CYP3A4TRPA1HPGDALDH1A1TDP1
SCHEMBL27066 0.77 CYP3A4 (0.50) CYP3A4TRPA1HPGDALDH1A1TDP1
SCHEMBL29405309 0.77 CYP3A4 (0.50) CYP3A4TRPA1HPGDALDH1A1TDP1
SCHEMBL3333505 0.76 CYP3A4 (0.57) CYP3A4TRPA1HPGDALDH1A1TDP1
SCHEMBL9824751 0.75 CYP3A4 (0.50) CYP3A4TRPA1HPGDALDH1A1MAPT
Hexamethylbenzene SCHEMBL28101399 0.74 CYP3A4 (0.74) CYP3A4TRPA1HPGDALDH1A1TDP1
SCHEMBL11664855 0.74 CYP1A2 (0.52) CYP3A4TRPA1HPGDALDH1A1TDP1
SCHEMBL15234393 0.74 CYP3A4 (0.49) CYP3A4TRPA1HPGDALDH1A1TDP1

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 78 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
CN-102227238-A Color cosmetics containing random terpolymer BASF SE 2011-10-26 CN claimed
EP-2344112-A1 SUNSCREEN AND PERSONAL CARE COMPOSITIONS COMPRISING A RANDOM TERPOLYMER BASF SE (DE) 2011-07-20 EP claimed
EP-2340088-A2 COLOR COSMETIC COMPRISING A RANDOM TERPOLYMER BASF SE (DE) 2011-07-06 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

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 430/4885HPGD 296/4885
US-20100129303-A1 SUNSCREEN AND PERSONAL CARE COMPOSITIONS COMPRISING A RANDOM TERPOLYMER MITF, TYR, MSH6 CYP3A4 920/4885TRPA1 166/4885HPGD 1698/4885
US-20100104610-A1 Color cosmetics comprising a random terpolymer CUTA, TYR, MSH6 CYP3A4 2793/4885TRPA1 448/4885HPGD 642/4885

“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.