SCHEMBL920507

SCHEMBL920507

COCCCCCOc1cc[c]c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
TSHR P16473 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 1/20 0.33
PPARG P37231 1/20 0.33
SMPD1 P17405 3/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
PRSS1 P07477 2/20 0.32

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
SCHEMBL920046 1.00 CYP1A2 (0.42) CYP1A2CYP2D6MAPK1CYP2C19KDM4E
SCHEMBL920710 1.00 CYP1A2 (0.42) CYP1A2CYP2D6MAPK1CYP2C19KDM4E
SCHEMBL920585 0.98 CYP2D6 (0.43) CYP1A2CYP2D6MAPK1CYP2C19KDM4E
SCHEMBL922137 0.95 CYP2D6 (0.43) CYP1A2CYP2D6MAPK1CYP2C19KDM4E
SCHEMBL16741209 0.90 SYK (0.37) CYP1A2CYP2D6MAPK1CYP2C19KDM4E
SCHEMBL9700131 0.87 TSHR (0.49) TSHRSMPD1
SCHEMBL27287624 0.87 TSHR (0.49) TSHRSMPD1
SCHEMBL920098 0.87 TSHR (0.49) TSHRSMPD1
SCHEMBL920552 0.87 TSHR (0.49) TSHRSMPD1
SCHEMBL920457 0.85 PRSS1 (0.33) TSHRMEN1KMT2ALMNAPRSS1

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-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP 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 (2 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 CYP1A2 2625/4885CYP2D6 4104/4885MAPK1 1392/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 CYP1A2 2061/4885CYP2D6 3619/4885MAPK1 2121/4885

“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.