SCHEMBL4829807

SCHEMBL4829807

CO/N=C(\C)c1cccc(Oc2nc(OC)cc(OC)n2)c1C(=O)O

nearest known ligand 0.81

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 0.48
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL117724 1.00 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C9CYP2C19GAA
SCHEMBL24925652 1.00 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C9CYP2C19GAA
SCHEMBL29568381 1.00 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C9CYP2C19GAA
Bispyribac SCHEMBL5267344 0.99 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19GAA
Pyriminobac-Methyl SCHEMBL65714 0.90 ALDH1A1 (0.55) CYP1A2CYP3A4CYP2C9CYP2C19GAA
Pyriminobac-Methyl SCHEMBL29395183 0.90 ALDH1A1 (0.55) CYP1A2CYP3A4CYP2C9CYP2C19GAA
Pyriminobac-Methyl SCHEMBL65713 0.90 ALDH1A1 (0.55) CYP1A2CYP3A4CYP2C9CYP2C19GAA
Pyriminobac-Methyl SCHEMBL32679458 0.90 ALDH1A1 (0.55) CYP1A2CYP3A4CYP2C9CYP2C19GAA
Pyriminobac-Methyl SCHEMBL4451500 0.90 ALDH1A1 (0.55) CYP1A2CYP3A4CYP2C9CYP2C19GAA
SCHEMBL17022772 0.86 CYP1A2 (0.42) 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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080114168-A1 Novel esters as useful broad spectrum herbicidal compounds CORET JOEL M 2008-05-15 US claimed
US-20050282708-A1 Novel esters as useful herbicidal compounds CORET JOEL M 2005-12-22 US claimed
EP-0672663-B1 Herbicidal tetrazolinones BAYER AGROCHEM KK (JP) 2000-07-12 EP claimed
EP-0768034-B1 Synergistic herbicidal composition and method for weed control CIBA GEIGY AG (CH) 1998-08-12 EP claimed
US-20230136215-A1 PRODUCTION OF DUNALIELLA UNIVERSITY OF GREENWICH (GB) 2023-05-04 US disclosed
US-20200368302-A1 PRODUCTION OF DUNALIELLA UNIVERSITY OF GREENWICH (GB) 2020-11-26 US disclosed
US-9907303-B2 Viscoelastic system for drift reduction AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2018-03-06 US disclosed
US-20150201612-A1 VISCOELASTIC SYSTEM FOR DRIFT REDUCTION AKZO NOBEL N.V. (NL) 2015-07-23 US disclosed
US-8791050-B2 Herbicidal compositions BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-29 US disclosed
US-8765638-B2 Herbicidal compositions BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-01 US disclosed
US-20140121107-A1 HERBICIDAL COMPOSITIONS FOR TOLERANT OR RESISTANT RICE CROPS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-01 US disclosed
US-8673819-B2 Surfactant blends useful in agriculture AKZO NOBEL N.V. (NL) 2014-03-18 US disclosed
WO-2000003591-A2 HERBICIDES AVENTIS CROPSCIENCE GMBH (DE) 2000-01-27 WO disclosed
CN-1200649-A Synergistic herbicidal mixtures comprising cyclohexenone oxime ethers BASF AG (DE) 1998-12-02 CN disclosed
EP-0861026-A1 SYNERGISTIC HERBICIDAL MIXTURES CONTAINING CYCLOHEXENONE OXIME ETHER BASF AKTIENGESELLSCHAFT (DE) 1998-09-02 EP disclosed
WO-1997010710-A1 SYNERGISTIC HERBICIDAL MIXTURES CONTAINING CYCLOHEXENONE OXIME ETHER BASF AKTIENGESELLSCHAFT (DE) 1997-03-27 WO disclosed
US-5302739-A Chemical intermediates, herbicides KUMIAI CHEMICAL INDUSTRY CO. (JP) 1994-04-12 US disclosed
US-5242895-A Antigrowth agents for plants KUMIAI CHEMICAL CO. (JP) 1993-09-07 US disclosed
US-5118339-A PYRIMIDINE DERIVATIVES AND HERBICIDAL COMPOSITION CONTAINING THE SAME KUMIAI CHEMICAL CO. (JP) 1992-06-02 US disclosed
EP-0435170-A2 Pyrimidine or triazine derivatives and herbicidal composition containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1991-07-03 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-20150201612-A1 VISCOELASTIC SYSTEM FOR DRIFT REDUCTION ACHE, PTMS, SGMS2 CYP1A2 4205/4885CYP3A4 3991/4885CYP2C9 3605/4885
US-20050282708-A1 Novel esters as useful herbicidal compounds NOTUM, DDT, HDHD5 CYP1A2 754/4885CYP3A4 671/4885CYP2C9 511/4885
US-20080114168-A1 Novel esters as useful broad spectrum herbicidal compounds NOTUM, DDT, HDHD5 CYP1A2 540/4885CYP3A4 570/4885CYP2C9 427/4885
US-20230136215-A1 PRODUCTION OF DUNALIELLA DDT, DLD, DAGLA CYP1A2 1513/4885CYP3A4 2345/4885CYP2C9 580/4885
US-20140121107-A1 HERBICIDAL COMPOSITIONS FOR TOLERANT OR RESISTANT RICE CROPS PPOX, CYP4X1, GLG1 CYP1A2 29/4885CYP3A4 49/4885CYP2C9 77/4885
US-20200368302-A1 PRODUCTION OF DUNALIELLA DDT, DLD, DAGLA CYP1A2 1513/4885CYP3A4 2345/4885CYP2C9 580/4885

“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.