SCHEMBL732023

SCHEMBL732023

CCOC(=O)OC(C)OC(=O)c1c(Oc2nc(OC)cc(OC)n2)cccc1Oc1nc(OC)cc(OC)n1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP3A4 P08684 2/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL732024 0.83 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19CYP3A4GAA
SCHEMBL9730567 0.80 CYP1A2 (0.45) CYP1A2CYP2C9CYP2C19CYP3A4GAA
SCHEMBL7845668 0.80 CYP1A2 (0.37) CYP1A2CYP2C9CYP2C19CYP3A4GAA
SCHEMBL9294680 0.78 CA12 (0.56) CYP1A2CYP2C9CYP2C19CYP3A4GAA
SCHEMBL9197640 0.78 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19CYP3A4GAA
SCHEMBL9622245 0.77 NPSR1 (0.58) CYP1A2CYP2C9CYP2C19CYP3A4GAA
SCHEMBL27377682 0.77 ALDH1A1 (0.61) CYP1A2CYP2C9CYP2C19CYP3A4GAA
SCHEMBL9730537 0.77 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19CYP3A4GAA
SCHEMBL28054700 0.76 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19CYP3A4GAA
SCHEMBL5178714 0.76 CYP1A2 (0.37) CYP1A2CYP2C9CYP2C19CYP3A4GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4103574-A None JP disclosed
JP-6316565-A None JP disclosed
US-9801374-B2 Active compound combinations comprising carboxamide derivatives BAYER CROPSCIENCE AG (DE) 2017-10-31 US disclosed
US-20150245610-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
EP-2908639-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING CARBOXAMIDE DERIVATIVES Bayer Cropscience AG (DE) 2015-08-26 EP disclosed
US-9102623-B2 Pyridinecarboxamides, useful-plant-protecting composition comprising them and processes for their preparation and their use BAYER CROPSCIENCE AG (DE) 2015-08-11 US disclosed
WO-2014060502-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2014-04-24 WO disclosed
EP-2675277-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHIINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR Bayer Intellectual Property GmbH (DE) 2013-12-25 EP disclosed
US-20130316901-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-28 US disclosed
US-8318637-B2 Herbicide/azole combination BAYER CROPSCIENCE AG (DE) 2012-11-27 US disclosed
US-20020016263-A1 Liquid formulations AVENTIS CROPSCIENCE GMBH (DE) 2002-02-07 US disclosed
US-6251827-B1 MIXTURE OF PLANT SAFENING AGENT AND ONE OR MORE PESTICIDES HOECHST SCHERING AGREVO GMBH (DE) 2001-06-26 US disclosed
US-6235680-B1 REDUCING SIDE EFFECT OF PESTICIDE HOECHST SCHERING AGREVO GMBH (DE) 2001-05-22 US disclosed
US-5972839-A MIXTURE WITH PLANT SAFENING AGENT HOECHST SCHERING AGREVO GMBH (DE) 1999-10-26 US disclosed
EP-0472113-B1 Pyrimidine derivatives and herbicidal compositions containing the same KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-04-16 EP disclosed
US-5516750-A FOR PESTICIDES AND HERBICIDES IN CROP PLANTS HOECHST SCHERING AGREVO GMBH (DE) 1996-05-14 US disclosed
JP-H06316565-A PYRIMIDINE DERIVATIVE AND HERBICIDE KUMIAI CHEM IND CO LTD 1994-11-15 JP disclosed
US-5154750-A PYRIMIDIEN DERIVATIVES AND HERBICIDAL COMPOSITIONS CONTAINING THE SAME KUMIAI CHEMICAL INDUSTRY CO. LTD. (JP) 1992-10-13 US disclosed
JP-H04103574-A PYRIMIDINE DERIVATIVE AND HERBICIDE KUMIAI CHEM IND CO LTD 1992-04-06 JP disclosed
EP-0472113-A1 Pyrimidine derivatives and herbicidal compositions containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1992-02-26 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 (3 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-20150245610-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING CARBOXAMIDE DERIVATIVES AADAC, PFAS, CBR3 CYP1A2 220/4885CYP2C9 656/4885CYP2C19 1599/4885
US-20130316901-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR DDT, ING2, DNER CYP1A2 1091/4885CYP2C9 1573/4885CYP2C19 3507/4885
US-20020016263-A1 Liquid formulations SLC25A1, SLC16A1, OTC CYP1A2 2953/4885CYP2C9 2337/4885CYP2C19 2314/4885

“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.