SCHEMBL674613

SCHEMBL674613

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.36
KDR P35968 2/20 0.36
AURKB Q96GD4 2/20 0.36
PTPN1 P18031 2/20 0.34
ULK1 O75385 3/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
ULK2 Q8IYT8 1/20 0.33
HTT P42858 2/20 0.33
TSHR P16473 2/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
MAPT P10636 3/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TNFRSF1A P19438 2/20 0.31
ALDH1A1 P00352 3/20 0.31
KMT2A Q03164 3/20 0.31
ESRRA P11474 1/20 0.31
MAPK1 P28482 1/20 0.31

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 0.90 AURKA (0.38) AURKAKDRAURKBPTPN1HTT
SCHEMBL675453 0.86 AURKA (0.35) AURKAKDRAURKBHTTAPOBEC3A
SCHEMBL29419084 0.85 PTPN1 (0.37) PTPN1ULK1PRKAA2PRKAA1ULK2
SCHEMBL119728 0.85 PTPN1 (0.37) PTPN1ULK1PRKAA2PRKAA1ULK2
SCHEMBL676320 0.85 PTPN1 (0.40) PTPN1ULK1PRKAA2PRKAA1ULK2
SCHEMBL5942385 0.84 LCK (0.37) KDRPTPN1ALDH1A1
SCHEMBL526805 0.83 PTPN1 (0.36) PTPN1ULK1PRKAA2PRKAA1ULK2
SCHEMBL29358934 0.83 PTPN1 (0.36) PTPN1ULK1PRKAA2PRKAA1ULK2
SCHEMBL676283 0.82 PTPN1 (0.34) PTPN1ULK1PRKAA2PRKAA1ULK2
SCHEMBL675856 0.82 PTPN1 (0.35) AURKAKDRAURKBPTPN1HTT

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 48 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-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-20160353737-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES ISHIHARA SANGYO KAISHA, LTD. (JP) 2016-12-08 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.