SCHEMBL676649

SCHEMBL676649

COc1ncc(Cl)c(C)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
TPMT P51580 1/20 0.37
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
KMO O15229 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
DAO P14920 1/20 0.33
PLAU P00749 1/20 0.33

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
SCHEMBL2526377 0.85 ALDH1A1 (0.38) KDM4EALDH1A1TDP1POLBMAPK1
SCHEMBL17371763 0.79 ALDH1A1 (0.56) KDM4EALDH1A1HSD17B10TDP1POLB
SCHEMBL9952844 0.79 POLB (0.38) KDM4EALDH1A1HSD17B10TDP1POLB
SCHEMBL19028056 0.78 ALDH1A1 (0.44) KDM4EALDH1A1HSD17B10TDP1MAPK1
SCHEMBL30562670 0.78 ALDH1A1 (0.44) KDM4EALDH1A1HSD17B10TDP1MAPK1
SCHEMBL21262511 0.78 KDM4E (0.42) KDM4EALDH1A1HSD17B10TDP1POLB
SCHEMBL19281383 0.77 KDM4E (0.33) KDM4EALDH1A1HSD17B10TPMTKMT2A
SCHEMBL10586185 0.77 KMT2A (0.46) KDM4EALDH1A1HSD17B10TDP1POLB
SCHEMBL10765197 0.77 DPP4 (0.39) KDM4EALDH1A1HSD17B10TDP1MAPK1
SCHEMBL674622 0.75 NNMT (0.35) LRRK2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653277-B2 Fungicidal composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA, LTD. (JP) 2014-02-18 US claimed
US-20170188579-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES ISHIHARA SANGYO KAISHA (JP) 2017-07-06 US disclosed
US-9655362-B2 Fungicidal composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA, LTD. (JP) 2017-05-23 US disclosed
EP-1679003-B1 BACTERICIDE COMPOSITION AND METHOD OF CONTROLLING PLANT DISEASE ISHIHARA SANGYO KAISHA (JP) 2015-04-15 EP disclosed
US-8653277-B2 Fungicidal composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA, LTD. (JP) 2014-02-18 US disclosed
US-8653113-B2 Fungicidal composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA, LTD. (JP) 2014-02-18 US disclosed
US-8609150-B2 Fungicidal composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA, LTD. (JP) 2013-12-17 US disclosed
US-20120135088-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES ISHIHARA SANGYO KAISHA, LTD. (JP) 2012-05-31 US disclosed
US-20110280959-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES ISHIHARA SANGYO KAISHA, LTD. (JP) 2011-11-17 US disclosed
US-8039633-B2 Method for producing nicotinic acid derivative or salt thereof ISHIHARA SANGYO KAISHA, LTD. (JP) 2011-10-18 US disclosed
EP-2338335-A1 Preparation of fungicidal benzoylpyridine derivatives ISHIHARA SANGYO KAISHA, LTD. (JP) 2011-06-29 EP disclosed
US-20090247763-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-10-01 US disclosed
US-20060194849-A1 Fungicidal composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA, LTD. (JP) 2006-08-31 US disclosed
EP-1679003-A1 BACTERICIDE COMPOSITION AND METHOD OF CONTROLLING PLANT DISEASE ISHIHARA SANGYO KAISHA, LTD. (JP) 2006-07-12 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 (5 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-20090247763-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES CBR3, CBR1, CNPY2 KDM4E 1152/4885ALDH1A1 1897/4885HSD17B10 374/4885
US-20120135088-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES CBR3, CNPY2, PAH KDM4E 1724/4885ALDH1A1 1250/4885HSD17B10 372/4885
US-20110280959-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES CBR3, CNPY2, PAH KDM4E 1724/4885ALDH1A1 1250/4885HSD17B10 372/4885
US-20060194849-A1 Fungicidal composition and method for controlling plant diseases CBR3, CNPY2, PAH KDM4E 1724/4885ALDH1A1 1250/4885HSD17B10 372/4885
US-20170188579-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES CBR3, CNPY2, PAH KDM4E 1724/4885ALDH1A1 1250/4885HSD17B10 372/4885

“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.