SCHEMBL920676

SCHEMBL920676

NCc1ccc(Oc2cccc(OC(F)(F)F)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 3/20 0.61
LOX P28300 1/20 0.51
LOXL2 Q9Y4K0 1/20 0.51
HTR2C P28335 1/20 0.48
MAPK14 Q16539 1/20 0.48
CETP P11597 5/20 0.47
MEN1 O00255 1/20 0.47
MITF O75030 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
GFER P55789 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NLRP1 Q9C000 1/20 0.47
NOD2 Q9HC29 1/20 0.47
CHRM5 P08912 1/20 0.46
SCN9A Q15858 3/20 0.45
KIF11 P52732 1/20 0.43
PTGES2 Q9H7Z7 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
SCHEMBL921003 0.90 CETP (0.50) ST14LOXLOXL2HTR2CMAPK14
SCHEMBL921230 0.89 HTR2C (0.53) ST14LOXLOXL2HTR2CMAPK14
SCHEMBL922517 0.88 ST14 (0.61) ST14HTR2CCETPALDH1A1
Hydrochloric Acid SCHEMBL921635 0.86 ST14 (0.59) ST14HTR2CCETPALDH1A1
SCHEMBL31374889 0.85 LTA4H (0.58) MAPK14CETPCHRM5SCN9A
SCHEMBL31374891 0.85 CHRM5 (0.48) ST14MAPK14CETPMEN1MITF
SCHEMBL4096194 0.83 ALDH1A1 (0.71) MAPK14CETPMEN1MITFALDH1A1
SCHEMBL29786543 0.82 HTR2C (0.52) HTR2CMAPK14CETPKIF11
SCHEMBL111452 0.82 HTR2C (0.52) HTR2CMAPK14CETPKIF11
SCHEMBL5670014 0.82 CETP (0.54) LOXLOXL2MAPK14CETPMEN1

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
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 ST14 708/4885LOX 1561/4885LOXL2 2606/4885

“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.