SCHEMBL921230

SCHEMBL921230

NCc1cccc(Oc2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.53
ST14 Q9Y5Y6 1/20 0.50
MAPK14 Q16539 1/20 0.50
CETP P11597 8/20 0.49
GRIN2B Q13224 1/20 0.47
LOX P28300 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
NR3C1 P04150 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
MAOB P27338 2/20 0.42
LTA4H P09960 1/20 0.42
EPHX2 P34913 1/20 0.42

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
SCHEMBL921003 0.92 CETP (0.50) HTR2CST14MAPK14CETPLOX
SCHEMBL920676 0.89 ST14 (0.61) HTR2CST14MAPK14CETPLOX
SCHEMBL29786543 0.88 HTR2C (0.52) HTR2CMAPK14CETPGRIN2BMAOB
SCHEMBL111452 0.88 HTR2C (0.52) HTR2CMAPK14CETPGRIN2BMAOB
Hydrochloric Acid SCHEMBL2714307 0.86 HTR2C (0.51) HTR2CMAPK14CETPGRIN2BMAOB
SCHEMBL922517 0.86 ST14 (0.61) HTR2CST14CETPGRIN2BMAOB
SCHEMBL5537039 0.85 MAPK14 (0.51) MAPK14CETPGRIN2BNR3C1MRGPRX4
Hydrochloric Acid SCHEMBL921635 0.84 ST14 (0.59) HTR2CST14CETPGRIN2BMAOB
SCHEMBL920315 0.84 MAOB (0.54) ST14MAPK14CETPLOXLOXL2
SCHEMBL23655963 0.83 MAOB (0.56) HTR2CCETPMRGPRX4MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP 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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 HTR2C 4348/4885ST14 708/4885MAPK14 905/4885

“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.