SCHEMBL924115

SCHEMBL924115

CCOc1ccc(Oc2cccc(CN)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.59
MAOB P27338 5/20 0.54
ST14 Q9Y5Y6 1/20 0.52
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
NQO1 P15559 1/20 0.47
FGFR2 P21802 1/20 0.45
FGFR3 P22607 1/20 0.45
FFAR1 O14842 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
PLA2G2A P14555 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
SCHEMBL920977 0.92 TP53 (0.53) LTA4HMAOBST14TP53CYP3A4
SCHEMBL921128 0.88 ST14 (0.63) LTA4HMAOBST14TP53CYP3A4
SCHEMBL606214 0.88 TP53 (0.60) MAOBTP53CYP3A4NQO1FGFR2
Hydrochloric Acid SCHEMBL4932873 0.86 TP53 (0.58) MAOBTP53CYP3A4FGFR2FGFR3
SCHEMBL920213 0.86 ST14 (0.63) LTA4HMAOBST14NQO1TSHR
SCHEMBL923353 0.85 ST14 (0.58) MAOBST14TDP1LOXL2
SCHEMBL4949955 0.84 ST14 (0.58) MAOBST14LOXL2
SCHEMBL921289 0.83 MAOB (0.61) LTA4HMAOBST14TP53
SCHEMBL920590 0.83 ST14 (0.55) MAOBST14FFAR1TDP1LOXL2
SCHEMBL919982 0.83 ST14 (0.60) MAOBST14TDP1

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
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
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 LTA4H 3410/4885MAOB 3730/4885ST14 708/4885

“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.