SCHEMBL811340

SCHEMBL811340

NC(=O)c1cc(F)c(C(N)=O)cc1F

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.58
ROCK2 O75116 1/20 0.52
PARP1 P09874 2/20 0.44
CES2 O00748 4/20 0.42
CES1 P23141 4/20 0.42
PARP10 Q53GL7 3/20 0.40
PARP15 Q460N3 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SCN9A Q15858 2/20 0.37
CASP1 P29466 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
MAP2K2 P36507 1/20 0.36
MAP2K1 Q02750 1/20 0.36

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
SCHEMBL2323641 0.95 DGAT1 (0.54) DGAT1ROCK2PARP1CES2CES1
Hydrochloric Acid SCHEMBL29810612 0.92 DGAT1 (0.52) DGAT1ROCK2PARP1CES2CES1
SCHEMBL6068628 0.90 DGAT1 (0.50) DGAT1ROCK2PARP1CES2CES1
SCHEMBL13575479 0.88 DGAT1 (0.48) DGAT1ROCK2PARP1CES2CES1
SCHEMBL16182121 0.88 DGAT1 (0.48) DGAT1ROCK2PARP1CES2CES1
SCHEMBL13003589 0.86 DGAT1 (0.47) DGAT1ROCK2PARP1CES2CES1
SCHEMBL1478637 0.86 DGAT1 (0.47) DGAT1ROCK2ALDH1A1MAPTHPGD
SCHEMBL22093104 0.86 DGAT1 (0.57) DGAT1ROCK2PARP1CES2CES1
SCHEMBL5327199 0.83 DGAT1 (0.48) DGAT1ROCK2ALDH1A1MAPTHPGD
SCHEMBL20652496 0.83 DGAT1 (0.48) DGAT1ROCK2PARP1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102341367-B Method for producing halogen-substituted benzene dimethanol SUMITOMO CHEMICAL CO 2014-05-07 CN disclosed
CN-102341367-A Method for producing halogen-substituted benzene dimethanol SUMITOMO CHEMICAL CO 2012-02-01 CN disclosed
EP-2404897-A1 METHOD FOR PRODUCING HALOGEN-SUBSTITUTED BENZENE DIMETHANOL Sumitomo Chemical Company, Limited (JP) 2012-01-11 EP disclosed
US-20110313197-A1 METHOD FOR PRODUCING HALOGEN-SUBSTITUTED BENZENE DIMETHANOL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-22 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-20110313197-A1 METHOD FOR PRODUCING HALOGEN-SUBSTITUTED BENZENE DIMETHANOL DBH, DDT, CBR3 DGAT1 389/4885ROCK2 4458/4885PARP1 2355/4885

“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.