SCHEMBL677216

SCHEMBL677216

COc1cc(C)c(C(O)c2c(OC)ncc(Cl)c2C)c(OC)c1OC

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 3/20 0.34
NR4A1 P22736 1/20 0.32
DHFR P00374 1/20 0.31
POLB P06746 1/20 0.31
ESR2 Q92731 1/20 0.31
MAOA P21397 2/20 0.31
PDE5A O76074 1/20 0.30
CYP19A1 P11511 1/20 0.30
NQO2 P16083 1/20 0.30
EPHB4 P54760 1/20 0.30
FYN P06241 1/20 0.30
AURKA O14965 1/20 0.30
KDR P35968 1/20 0.30
AURKB Q96GD4 1/20 0.30

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
SCHEMBL31124325 1.00 MDM2 (0.34) MDM2NR4A1DHFRPOLBESR2
SCHEMBL5942495 0.92 MDM2 (0.35) MDM2NR4A1POLBESR2MAOA
SCHEMBL6246800 0.91 DPP4 (0.33) MDM2NR4A1POLB
SCHEMBL676638 0.90 MDM2 (0.34) MDM2NR4A1POLBESR2MAOA
SCHEMBL31124337 0.90 MDM2 (0.34) MDM2NR4A1POLBESR2MAOA
SCHEMBL22372139 0.89 MDM2 (0.32) MDM2NR4A1DHFRPOLBESR2
SCHEMBL5942316 0.88 MAOA (0.33) DHFRMAOACYP19A1NQO2FYN
SCHEMBL6246609 0.88 MDM2 (0.33) MDM2NR4A1POLBESR2
SCHEMBL5942267 0.87 MDM2 (0.32) MDM2NR4A1AURKAKDRAURKB
SCHEMBL6246188 0.87 MDM2 (0.35) MDM2NR4A1POLBESR2

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-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-8653113-B2 Fungicidal composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA, LTD. (JP) 2014-02-18 US disclosed
US-8653277-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
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
US-20060089390-A1 3-benzoyl-2,4,5-substituted pyridine derivatives or salts thereof and bactericides containing the same ISHIHARA SANGYO KAISHA, LTD. (JP) 2006-04-27 US disclosed
EP-1559320-A1 3-BENZOYL-2,4,5-SUBSTITUTED PYRIDINE DERIVATIVES OR SALTS THEREOF AND BACTERICIDES CONTAINING THE SAME ISHIHARA SANGYO KAISHA, LTD. (JP) 2005-08-03 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 MDM2 4455/4885NR4A1 209/4885DHFR 721/4885
US-20120135088-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES CBR3, CNPY2, PAH MDM2 4277/4885NR4A1 283/4885DHFR 546/4885
US-20110280959-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES CBR3, CNPY2, PAH MDM2 4277/4885NR4A1 283/4885DHFR 546/4885
US-20060194849-A1 Fungicidal composition and method for controlling plant diseases CBR3, CNPY2, PAH MDM2 4277/4885NR4A1 283/4885DHFR 546/4885
US-20170188579-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES CBR3, CNPY2, PAH MDM2 4277/4885NR4A1 283/4885DHFR 546/4885

“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.