SCHEMBL674622

SCHEMBL674622

COc1cc(C)c(C(=O)c2c(OC)ncc(Cl)c2C)cc1OC

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.35
PDE4D Q08499 2/20 0.34
LRRK2 Q5S007 1/20 0.34
CSF1R P07333 1/20 0.34
SCN9A Q15858 10/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTPN1 P18031 1/20 0.33
ALPL P05186 1/20 0.33
SCN5A Q14524 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
SCHEMBL5942427 0.90 TSHR (0.36) PDE4DSCN9ALMNATSHRALPL
SCHEMBL675387 0.90 SCN9A (0.35) NNMTPDE4DLRRK2SCN9ACES2
SCHEMBL5942372 0.90 PTPN1 (0.39) NNMTPDE4DLRRK2SCN9ACES2
SCHEMBL16782669 0.88 NNMT (0.37) NNMTCYP1A2CYP3A4CYP2C9TSHR
SCHEMBL5942510 0.87 PTPN1 (0.40) NNMTPDE4DLRRK2SCN9ACES2
SCHEMBL5942552 0.85 NNMT (0.35) NNMTPDE4DSCN9ACYP1A2CYP3A4
SCHEMBL5942227 0.85 GFER (0.36) NNMTPDE4DLRRK2SCN9ALMNA
SCHEMBL5942567 0.85 PDE4D (0.39) PDE4DSCN9ALMNACYP1A2CYP3A4
SCHEMBL38657302 0.85 PTPN1 (0.40) PDE4DLRRK2LMNATSHRPTPN1
SCHEMBL5942433 0.84 LCK (0.41) NNMTLRRK2CYP1A2CYP3A4CYP2C9

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 NNMT 4079/4885PDE4D 662/4885LRRK2 3894/4885
US-20150164084-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES AFF4, HCN4, CNPY2 NNMT 4079/4885PDE4D 662/4885LRRK2 3894/4885
US-10136643-B2 Fungicidal composition and method for controlling plant diseases AFF4, HCN4, CNPY2 NNMT 4079/4885PDE4D 662/4885LRRK2 3894/4885
US-20110104307-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES AFF4, HCN4, CNPY2 NNMT 4079/4885PDE4D 662/4885LRRK2 3894/4885
US-20060194849-A1 Fungicidal composition and method for controlling plant diseases CBR3, CNPY2, PAH NNMT 1528/4885PDE4D 2031/4885LRRK2 4208/4885
US-20170188579-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES CBR3, CNPY2, PAH NNMT 1528/4885PDE4D 2031/4885LRRK2 4208/4885

“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.