SCHEMBL920977

SCHEMBL920977

CCOc1cccc(Oc2cccc(CN)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
FGFR2 P21802 1/20 0.49
FGFR3 P22607 1/20 0.49
ST14 Q9Y5Y6 1/20 0.48
MAOB P27338 2/20 0.47
LTA4H P09960 1/20 0.47
DHFR P00374 1/20 0.47
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
MAPK1 P28482 2/20 0.44
KLKB1 P03952 1/20 0.44
KLK1 P06870 1/20 0.44
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
CETP P11597 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL606214 0.93 TP53 (0.60) TP53CYP3A4FGFR2FGFR3MAOB
SCHEMBL924115 0.92 LTA4H (0.59) TP53CYP3A4FGFR2FGFR3ST14
Hydrochloric Acid SCHEMBL4932873 0.91 TP53 (0.58) TP53CYP3A4FGFR2FGFR3MAOB
SCHEMBL921128 0.90 ST14 (0.63) TP53CYP3A4ST14MAOBLTA4H
SCHEMBL920675 0.85 LTA4H (0.53) ST14MAOBLTA4HDHFRCYP2D6
SCHEMBL4949955 0.85 ST14 (0.58) ST14MAOBNOS1NOS2SMN1; SMN2
SCHEMBL9488001 0.85 TP53 (0.63) TP53CYP3A4LTA4HMAPK1CYP1A2
SCHEMBL920952 0.84 ST14 (0.48) ST14MAOBSMN1; SMN2
SCHEMBL920587 0.82 MAOB (0.63) ST14MAOBCHRM2CHRM1CHRM3
SCHEMBL3193072 0.82 TP53 (0.49) TP53CYP3A4FGFR2FGFR3MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101951771-A Composition for agricultural use for controlling or preventing plant diseases caused by plant pathogens SUMITOMO CHEMICAL CO 2011-01-19 CN 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
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 TP53 3497/4885CYP3A4 3076/4885FGFR2 4341/4885

“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.