SCHEMBL676827

SCHEMBL676827

COc1cc(C)c(C(=O)c2c(OC)ncc(C(F)(F)F)c2C)c(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.45
KDR P35968 2/20 0.45
AURKB Q96GD4 2/20 0.45
MAPK10 P53779 3/20 0.35
MAPK9 P45984 1/20 0.35
CYP3A4 P08684 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
ULK1 O75385 1/20 0.34
MAPT P10636 4/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
GFER P55789 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL675121 0.89 AURKA (0.43) AURKAKDRAURKBMAPK10MAPK9
SCHEMBL675590 0.87 MAPT (0.37) AURKAKDRAURKBMAPK10MAPK9
SCHEMBL675835 0.85 POLB (0.37) CYP3A4ALDH1A1KDM4ECYP1A2MAPT
SCHEMBL675825 0.85 AURKA (0.38) AURKAKDRAURKBCYP3A4ALDH1A1
SCHEMBL5942392 0.83 AURKA (0.39) AURKAKDRAURKBMAPK10ULK1
SCHEMBL29419084 0.82 PTPN1 (0.37) CYP3A4ALDH1A1KDM4EULK1MAPT
SCHEMBL119728 0.82 PTPN1 (0.37) CYP3A4ALDH1A1KDM4EULK1MAPT
SCHEMBL29814930 0.82 HPGD (0.35) AURKAMAPK10CYP3A4ALDH1A1ULK1
SCHEMBL29351890 0.82 HPGD (0.35) AURKAMAPK10CYP3A4ALDH1A1ULK1
SCHEMBL322562 0.82 HPGD (0.35) AURKAMAPK10CYP3A4ALDH1A1ULK1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10136643-B2 Fungicidal composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA, LTD. (JP) 2018-11-27 US claimed
US-20160353737-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES ISHIHARA SANGYO KAISHA, LTD. (JP) 2016-12-08 US claimed
US-9474281-B2 Fungicidal composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA, LTD. (JP) 2016-10-25 US claimed
US-20150164084-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES ISHIHARA SANGYO KAISHA, LTD. (JP) 2015-06-18 US claimed
US-8962661-B2 Fungicidal composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA, LTD. (JP) 2015-02-24 US claimed
EP-2323487-A2 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES ISHIHARA SANGYO KAISHA, LTD. (JP) 2011-05-25 EP claimed
US-20110104307-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES ISHIHARA SANGYO KAISHA, LTD. (JP) 2011-05-05 US claimed
WO-2010002026-A2 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-01-07 WO claimed
EP-2036436-A1 ANTIBACTERIAL COMPOSITION AND METHOD FOR CONTROL OF PLANT DISEASE ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-03-18 EP claimed
US-20060194849-A1 Fungicidal composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA, LTD. (JP) 2006-08-31 US claimed
EP-1679003-A1 BACTERICIDE COMPOSITION AND METHOD OF CONTROLLING PLANT DISEASE ISHIHARA SANGYO KAISHA, LTD. (JP) 2006-07-12 EP claimed
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 claimed
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 claimed
US-10136643-B2 Fungicidal composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA, LTD. (JP) 2018-11-27 US disclosed
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
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 (6 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-20160353737-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES AFF4, HCN4, CNPY2 AURKA 4661/4885KDR 4690/4885AURKB 4668/4885
US-20150164084-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES AFF4, HCN4, CNPY2 AURKA 4661/4885KDR 4690/4885AURKB 4668/4885
US-10136643-B2 Fungicidal composition and method for controlling plant diseases AFF4, HCN4, CNPY2 AURKA 4661/4885KDR 4690/4885AURKB 4668/4885
US-20110104307-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES AFF4, HCN4, CNPY2 AURKA 4661/4885KDR 4690/4885AURKB 4668/4885
US-20060194849-A1 Fungicidal composition and method for controlling plant diseases CBR3, CNPY2, PAH AURKA 4458/4885KDR 2646/4885AURKB 4701/4885
US-20170188579-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES CBR3, CNPY2, PAH AURKA 4458/4885KDR 2646/4885AURKB 4701/4885

“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.