SCHEMBL3304697

SCHEMBL3304697

Cc1cc(Oc2ccc(Cl)cc2Cl)cc(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
TTR P02766 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PPOX P50336 1/20 0.48
MRGPRX4 Q96LA9 4/20 0.47
POLB P06746 2/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 2/20 0.44
FFAR1 O14842 2/20 0.43
PKM P14618 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
S1PR4 O95977 1/20 0.41
MCL1 Q07820 1/20 0.41

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
Bifenox SCHEMBL11497295 0.88 TDP1 (0.78) TDP1TTRMEN1KMT2APPOX
SCHEMBL10690832 0.87 ESRRA (0.47) TDP1TTRMEN1KMT2APPOX
Ioxynil SCHEMBL10755216 0.87 TDP1 (0.44) TDP1TTRMEN1KMT2APPOX
SCHEMBL9852601 0.86 TDP1 (0.54) TDP1TTRMEN1KMT2APPOX
SCHEMBL11334611 0.85 EPAS1 (0.47) TDP1TTRMEN1KMT2APPOX
SCHEMBL10685127 0.85 MEN1 (0.47) TDP1TTRMEN1KMT2APPOX
SCHEMBL10686059 0.85 MEN1 (0.59) TDP1TTRMEN1KMT2APPOX
SCHEMBL9177369 0.82 TDP1 (0.48) TDP1TTRMEN1KMT2APPOX
SCHEMBL9177363 0.82 TDP1 (0.48) TDP1TTRMEN1KMT2APPOX
SCHEMBL2730973 0.79 TDP1 (0.76) TDP1TTRMEN1KMT2APPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946100-B1 HERBICIDES CONTAINING N-[(4,6-DIMETHOXYPYRIMIDINE-2-YL)AMINOCARBONYL]-5-METHYLSULPHONAMIDOMETHYL-2-ALKOXYCARBONYLBENZENE SULPHONAMIDES BAYER CROPSCIENCE GMBH (DE) 2003-06-25 EP claimed
EP-0831707-B1 HERBICIDES WITH 4-IODO-2-[3-(4-METHOXY-6-METHYL-1,3,5-TRIAZIN-2-YL)UREIDOSULFONYL]-BENZOIC ACID ESTERS AVENTIS CROPSCIENCE GMBH (DE) 2001-09-26 EP claimed
US-4818278-A N-/HETEROCYCLICAMINOCARBONYL/ARYL SULFONAMIDES; HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-04-04 US claimed
US-4531965-A One-time spraying of vineyard or fruit plantation after emergence of weeds with mixture of herbicides SIEGFRIED AKTIENGESELLSCHAFT (CH) 1985-07-30 US claimed
EP-0080758-B1 METHOD OF CONTROLLING A BROAD SPECTRUM OF WEEDS IN A CROP AREA AND COMPOSITION FOR THE METHOD SIEGFRIED AKTIENGESELLSCHAFT (CH) 1985-07-24 EP claimed
EP-0059011-B1 CROP DEFOLIANT AND USE THEREOF SIEGFRIED AKTIENGESELLSCHAFT (CH) 1984-04-18 EP claimed
US-4440561-A BIFENOX, LINURON AND MINERAL OIL SIEGFRIED AKTIENGESELLSCHAFT (CH) 1984-04-03 US claimed
EP-0080758-A1 Method of controlling a broad spectrum of weeds in a crop area and composition for the method SIEGFRIED AKTIENGESELLSCHAFT (CH) 1983-06-08 EP claimed
US-20210352892-A1 MACROMOLECULAR AND NONPARTICULATE AGROCHEMICALS TO REDUCE VAPOR DRIFT UNIVERSITY OF UTAH RESEARCH FOUNDATION 2021-11-18 US disclosed
WO-2020210750-A1 MACROMOLECULAR AND NONPARTICULATE AGROCHEMICALS TO REDUCE VAPOR DRIFT UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2020-10-15 WO disclosed
US-20100099562-A1 HERBICIDE COMBINATION BAYER CROPSCIENCE AG (DE) 2010-04-22 US disclosed
EP-1898705-B1 OIL SUSPENSION CONCENTRATE BAYER CROPSCIENCE AG (DE) 2009-10-14 EP disclosed
EP-1898705-A1 OIL SUSPENSION CONCENTRATE Bayer CropScience AG (DE) 2008-03-19 EP disclosed
EP-1890542-A1 HERBICIDES BAYER CROPSCIENCE AG (DE) 2008-02-27 EP disclosed
EP-0077854-A1 Herbicidal halogenated aromatic aminooxyacetic acid compounds and methods of use UNION CARBIDE CORPORATION (US) 1983-05-04 EP disclosed
EP-0023100-B1 HERBICIDAL COMPOSITIONS COMPRISING A DIPHENYL ETHER COMPOUND IN ADMIXTURE WITH ANOTHER HERBICIDE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-11-10 EP disclosed
US-4345938-A ESPECIALLY USEFUL FOR WEEDS ASSOCIATED WITH RICE MONSANTO COMPANY (US) 1982-08-24 US disclosed
EP-0023100-A1 Herbicidal compositions comprising a diphenyl ether compound in admixture with another herbicide IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-01-28 EP disclosed
US-4225693-A CONTROLLED RELEASE HOPKINS AGRICULTURAL CHEMICAL COMPANY 1980-09-30 US disclosed
EP-0004414-A1 Mixtures of herbicidal pyridyloxyphenoxypropanoic acid derivatives with other herbicides, and processes of killing unwanted plants therewith IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-10-03 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 (2 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-20100099562-A1 HERBICIDE COMBINATION DDT, MSRB3, PTPN21 TDP1 3177/4885TTR 4521/4885MEN1 2927/4885
US-20210352892-A1 MACROMOLECULAR AND NONPARTICULATE AGROCHEMICALS TO REDUCE VAPOR DRIFT ACP1, PTMS, VDAC1 TDP1 1277/4885TTR 183/4885MEN1 4279/4885

“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.