SCHEMBL732024

SCHEMBL732024

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

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL9294680 0.83 CA12 (0.56) CYP1A2CYP3A4CYP2C9CYP2C19GAA
SCHEMBL732023 0.83 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C9CYP2C19GAA
SCHEMBL9194907 0.83 CYP1A2 (0.45) CYP1A2CYP3A4CYP2C9CYP2C19GAA
SCHEMBL9622245 0.82 NPSR1 (0.58) CYP1A2CYP3A4CYP2C9CYP2C19GAA
SCHEMBL9197644 0.82 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19GAA
SCHEMBL9730537 0.82 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C9CYP2C19GAA
SCHEMBL9622353 0.81 NPSR1 (0.58) CYP1A2CYP3A4CYP2C9CYP2C19GAA
SCHEMBL27377682 0.80 ALDH1A1 (0.61) CYP1A2CYP3A4CYP2C9CYP2C19GAA
SCHEMBL9430618 0.80 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19GAA
SCHEMBL9195996 0.79 ALDH1A1 (0.56) CYP1A2CYP3A4CYP2C9CYP2C19GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20120252670-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARATION AND THEIR USE ZIEMER FRANK (DE) 2012-10-04 US disclosed
WO-2012110517-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHIINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR BAYER CROPSCIENCE AG (DE) 2012-08-23 WO disclosed
US-20040132621-A1 Microemulsion concentrates BAYER CORPSCIENCE GMBH PATENTS AND LICENSING (DE) 2004-07-08 US disclosed
US-20040116300-A1 Liquid adjuvants BAYER CROPSCIENCE GMBH (DE) 2004-06-17 US disclosed
US-20040110637-A1 Method of safening crops using isoxazoline carboxylates BAYER CROPSCIENCE GMBH (DE) 2004-06-10 US disclosed
US-6693063-B2 HALOGENATED HYDROXYBENZONITRILE DERIVATIVE WITH SPECIFIC SURFACTANTS AVENTIS CROPSCIENCE GMBH (DE) 2004-02-17 US disclosed
EP-1365648-A1 METHOD OF SAFENING CROPS USING ISOXAZOLINE CARBOXYLATES Bayer CropScience GmbH (DE) 2003-12-03 EP disclosed
US-20020115569-A1 Herbicidal composition AVENTIS CROPSCIENCE GMBH (DE) 2002-08-22 US disclosed
WO-2002060256-A1 METHOD OF SAFENING CROPS USING ISOXAZOLINE CARBOXYLATES BAYER CROPSCIENCE GMBH (DE) 2002-08-08 WO disclosed
US-20020058591-A1 Herbicidal compositions BAYER CROPSCIENCE GMBH (DE) 2002-05-16 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20120252670-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARATION AND THEIR USE CYC1, CYCS, CBR3 CYP1A2 74/4885CYP3A4 202/4885CYP2C9 123/4885
US-20150245610-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING CARBOXAMIDE DERIVATIVES AADAC, PFAS, CBR3 CYP1A2 220/4885CYP3A4 824/4885CYP2C9 656/4885
US-20130316901-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR DDT, ING2, DNER CYP1A2 1091/4885CYP3A4 2239/4885CYP2C9 1573/4885
US-20020016263-A1 Liquid formulations SLC25A1, SLC16A1, OTC CYP1A2 2953/4885CYP3A4 2754/4885CYP2C9 2337/4885
US-20040110637-A1 Method of safening crops using isoxazoline carboxylates CYP2W1, CYP4Z1, CYP4X1 CYP1A2 17/4885CYP3A4 190/4885CYP2C9 81/4885
US-20020058591-A1 Herbicidal compositions DDT, HDHD5, GLO1 CYP1A2 258/4885CYP3A4 1161/4885CYP2C9 503/4885
US-20020115569-A1 Herbicidal composition CBR1, DDT, CYP1A1 CYP1A2 68/4885CYP3A4 775/4885CYP2C9 483/4885
US-20040132621-A1 Microemulsion concentrates LIPC, MGLL, SGMS2 CYP1A2 631/4885CYP3A4 2557/4885CYP2C9 1880/4885

“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.