SCHEMBL675453

SCHEMBL675453

CCc1cnc(OC)c(C(=O)c2c(C)cc(OC)c(OC)c2OC)c1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.35
KDR P35968 2/20 0.35
AURKB Q96GD4 2/20 0.35
DPP4 P27487 3/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
PDE4D Q08499 2/20 0.31
PDE10A Q9Y233 2/20 0.31
P4HTM Q9NXG6 1/20 0.31
DHFR P00374 1/20 0.31
PTK2 Q05397 1/20 0.31
ESRRA P11474 1/20 0.31
NEK2 P51955 1/20 0.31
ALDH1A1 P00352 2/20 0.30
KMT2A Q03164 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 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
SCHEMBL675825 0.89 AURKA (0.38) AURKAKDRAURKBCYP3A4CYP2C19
SCHEMBL674613 0.86 AURKA (0.36) AURKAKDRAURKBCYP3A4APOBEC3A
SCHEMBL676827 0.81 AURKA (0.45) AURKAKDRAURKBCYP3A4CYP2C19
SCHEMBL675121 0.79 AURKA (0.43) AURKAKDRAURKBCYP3A4CYP2C9
SCHEMBL6249025 0.78 MAPT (0.33) AURKAKDRAURKBCYP3A4CYP2C19
SCHEMBL676832 0.78 PDE4D (0.37) DPP4APOBEC3AAPOBEC3GPDE4DSMN1; SMN2
SCHEMBL675835 0.78 POLB (0.37) DPP4CYP3A4P4HTMALDH1A1KMT2A
SCHEMBL5942412 0.77 AURKA (0.35) AURKAKDRAURKBDPP4PDE4D
SCHEMBL676404 0.77 DPP4 (0.34) AURKAKDRAURKBDPP4CYP3A4
SCHEMBL674954 0.77 ALDH1A1 (0.36) CYP3A4PDE4DALDH1A1KMT2AKDM4E

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 58 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
CN-102083317-A Fungicidal compositions and methods for controlling plant diseases ISHIHARA SANGYO KAISHA 2011-06-01 CN 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
CN-1874680-A bactericide composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA (JP) 2006-12-06 CN 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
CN-105994322-B The Fungicidal composition and method of controlling plant diseases 石原产业株式会社 2019-03-08 CN disclosed
US-10136643-B2 Fungicidal composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA, LTD. (JP) 2018-11-27 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-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

“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.