SCHEMBL920603

SCHEMBL920603

CCCCC#CCOc1ccc[c]c1F

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.38
KCNH2 Q12809 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL919506 0.91 PTGS2 (0.35) PTGS2RAB9AL3MBTL1
SCHEMBL920592 0.85 RAB9A (0.33) PTGS2CYP1A2RAB9AL3MBTL1
SCHEMBL919770 0.81 L3MBTL1 (0.36) KCNH2CYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL919791 0.80 PDE4B (0.32) PTGS2RAB9AL3MBTL1
SCHEMBL921028 0.80 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL921662 0.79 L3MBTL1 (0.34) PTGS2CYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL919613 0.79 L3MBTL1 (0.45) CYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL920424 0.77 MEN1 (0.45) CYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL27452216 0.77 MEN1 (0.45) CYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL918984 0.77 MEN1 (0.45) CYP1A2CYP2C9CYP2C19L3MBTL1

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 PTGS2 2624/4885KCNH2 2433/4885CYP1A2 2625/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 PTGS2 3582/4885KCNH2 669/4885CYP1A2 2061/4885

“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.