SCHEMBL921397

SCHEMBL921397

CCCc1ccc(Oc2cccc(CN)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 3/20 0.55
FDFT1 P37268 1/20 0.50
MAOB P27338 3/20 0.49
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FFAR1 O14842 2/20 0.45
FFAR4 Q5NUL3 1/20 0.45
CETP P11597 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
RAB9A P51151 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL5597563 0.91 ST14 (0.51) ST14FDFT1MAOBALDH1A1KDM4E
SCHEMBL25381878 0.90 FDFT1 (0.57) FDFT1ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL921748 0.88 ST14 (0.63) ST14MAOBALDH1A1TAAR1RAB9A
SCHEMBL923353 0.87 ST14 (0.58) ST14MAOBALDH1A1KDM4EHTT
SCHEMBL919982 0.85 ST14 (0.60) ST14MAOBALDH1A1KDM4EHTT
SCHEMBL2347477 0.84 LTA4H (0.53) FDFT1ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL10106203 0.83 FDFT1 (0.58) FDFT1CETP
SCHEMBL26218121 0.82 TAAR1 (0.50) FDFT1ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL4949955 0.82 ST14 (0.58) ST14MAOBALDH1A1SMN1; SMN2TAAR1
SCHEMBL3151082 0.82 MAOB (0.59) FDFT1MAOBALDH1A1SMN1; SMN2RAB9A

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
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
WO-2009107764-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS 住友化学株式会社 (JP) 2009-09-03 WO 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 ST14 708/4885FDFT1 865/4885MAOB 3730/4885

“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.