SCHEMBL571737

SCHEMBL571737

CCC(Oc1ccc(Cl)c2cccnc12)(C(=O)O)C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.56
PKM P14618 1/20 0.54
ALOX12 P18054 2/20 0.53
CYP3A4 P08684 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 3/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 4/20 0.45
HSP90AA1 P07900 2/20 0.45
CCR6 P51684 2/20 0.45
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 3/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPK1 P28482 1/20 0.44
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL691962 0.79 KDM4E (0.54) KDM4EPKMALOX12CYP3A4TDP1
SCHEMBL691961 0.77 KDM4E (0.57) KDM4EPKMALOX12CYP3A4TDP1
SCHEMBL29155525 0.76 KDM4E (0.54) KDM4EPKMALOX12CYP3A4TDP1
SCHEMBL6268556 0.75 KDM4E (0.55) KDM4EPKMALOX12CYP3A4TDP1
SCHEMBL600131 0.75 KDM4E (0.59) KDM4EPKMALOX12CYP3A4TDP1
SCHEMBL30027465 0.75 KDM4E (0.59) KDM4EPKMALOX12CYP3A4TDP1
Propene SCHEMBL29256312 0.74 KDM4E (0.49) KDM4EPKMALOX12CYP3A4TDP1
SCHEMBL28990432 0.74 PKM (0.55) KDM4EPKMALOX12CYP3A4TDP1
SCHEMBL30385711 0.74 PKM (0.55) KDM4EPKMALOX12CYP3A4TDP1
SCHEMBL9438452 0.74 KDM4E (0.51) KDM4EPKMALOX12CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167088-A1 1-PYRAZINYLPYRAZOLYL-3-OXYALKYL ACIDS AND THEIR DERIVATIVES, AND THEIR USE FOR CONTROL OF UNDESIRED PLANT GROWTH BAYER AKTIENGESELLSCHAFT (DE) 2023-06-01 US disclosed
US-20230159472-A1 SUBSTITUTED ISOPHTHALIC ACID DIAMIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-05-25 US disclosed
US-20230126893-A1 [(1,4,5-TRISUBSTITUTED-1H-PYRAZOL-3-YL)SULFANYL]ACETIC ACID DERIVATIVES, SALTS THEREOF, AND USE THEREOF AS ACTIVE HERBICIDAL INGREDIENTS BAYER AKTIENGESELLSCHAFT (DE) 2023-04-27 US disclosed
US-10301257-B2 Use of acylsulfonamides for improving plant yield BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-05-28 US disclosed
US-9661848-B2 Substituted 4-cyan-3-(pyridyl)-4-phenylbutanoates, method for the production thereof and uses as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2017-05-30 US disclosed
US-9609863-B2 Herbicide/safener compositions containing N-(tetrazol-5-yl) aryl carboxylic acid amides and N-(triazol-5-yl) aryl carboxylic acid amides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-04-04 US disclosed
US-9332759-B2 Herbicide safener compositions BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-10 US disclosed
US-20150327546-A1 SUBSTITUTED 4-CYAN-3-(PYRIDYL)-4-PHENYLBUTANOATES, METHOD FOR THE PRODUCTION THEREOF AND USES AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2015-11-19 US disclosed
US-20150291518-A1 USE OF ACYLSULFONAMIDES FOR IMPROVING PLANT YIELD BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-15 US disclosed
US-8912124-B2 Use of derivatives of (1-cyanocyclopropyl)phenylphosphinic acid, esters thereof and/or salts thereof for enhancing tolerance in plants to abiotic stress BAYER CROPSCIENCE AG (DE) 2014-12-16 US disclosed
US-20070015662-A1 Herbicide/safener combination BAYER CROPSCIENCE GMBH (DE) 2007-01-18 US disclosed
US-20070015661-A1 Herbicide/safener combination BAYER CROPSCIENCE GMBH (DE) 2007-01-18 US disclosed
US-20060276342-A1 Herbicidal compositions BAYER CROPSCIENCE GMBH (DE) 2006-12-07 US disclosed
US-20060240984-A1 Herbicidal compositions PALLETT KEN 2006-10-26 US disclosed
US-7101827-B2 Herbicides comprising benzoylcyclohexanediones and safeners AVENTIS CROPSCIENCE GMBH (DE) 2006-09-05 US disclosed
US-20050233906-A1 Oil suspension concentrate BAYER INTELLECTUAL PROPERTY GMBH (DE) 2005-10-20 US disclosed
US-20050070437-A1 Herbicide combinations comprising specific sulfonamides BAYER CROPSCIENCE GMBH (DE) 2005-03-31 US disclosed
US-6864217-B2 Herbicidal compositions with substituted phenylsulfonylureas for controlling weeds in rice HOECHST SCHERING AGREVO GMBH (DE) 2005-03-08 US disclosed
US-20040224848-A1 Herbicides comprising benzoylcyclohexanediones and safeners AVENTIS CROPSCIENCE GMBH (DE) 2004-11-11 US disclosed
US-20040157739-A1 Amino-1,3,5-triazines N-substituted with chiral bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2004-08-12 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 (14 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-20060240984-A1 Herbicidal compositions DDT, GLRX3, GPX1 KDM4E 2233/4885PKM 2191/4885ALOX12 2360/4885
US-20050070437-A1 Herbicide combinations comprising specific sulfonamides DDT, B2M, MTX2 KDM4E 4686/4885PKM 1292/4885ALOX12 580/4885
US-20070015662-A1 Herbicide/safener combination CYP2W1, CBR3, DDT KDM4E 3689/4885PKM 2744/4885ALOX12 1565/4885
US-20040157739-A1 Amino-1,3,5-triazines N-substituted with chiral bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators CYP4Z1, IL4I1, BCAT1 KDM4E 743/4885PKM 3777/4885ALOX12 2707/4885
US-20070015661-A1 Herbicide/safener combination CBR3, CBR1, GSR KDM4E 4426/4885PKM 3261/4885ALOX12 2186/4885
US-20230167088-A1 1-PYRAZINYLPYRAZOLYL-3-OXYALKYL ACIDS AND THEIR DERIVATIVES, AND THEIR USE FOR CONTROL OF UNDESIRED PLANT GROWTH AGPS, CBR3, HPD KDM4E 3651/4885PKM 517/4885ALOX12 1279/4885
US-20230126893-A1 [(1,4,5-TRISUBSTITUTED-1H-PYRAZOL-3-YL)SULFANYL]ACETIC ACID DERIVATIVES, SALTS THEREOF, AND USE THEREOF AS ACTIVE HERBICIDAL INGREDIENTS SYMPK, ALDH7A1, AADAC KDM4E 1517/4885PKM 1229/4885ALOX12 1480/4885
US-20150327546-A1 SUBSTITUTED 4-CYAN-3-(PYRIDYL)-4-PHENYLBUTANOATES, METHOD FOR THE PRODUCTION THEREOF AND USES AS HERBICIDES AND PLANT GROWTH REGULATORS CBR3, DDT, CYP4B1 KDM4E 153/4885PKM 959/4885ALOX12 4321/4885
US-10301257-B2 Use of acylsulfonamides for improving plant yield ARSA, ACSS2, NAT1 KDM4E 2044/4885PKM 1926/4885ALOX12 946/4885
US-20230159472-A1 SUBSTITUTED ISOPHTHALIC ACID DIAMIDES DDT, IDH2, DAO KDM4E 2190/4885PKM 2583/4885ALOX12 2349/4885
US-20040224848-A1 Herbicides comprising benzoylcyclohexanediones and safeners DDT, HPD, HDHD5 KDM4E 3009/4885PKM 1758/4885ALOX12 663/4885
US-20050233906-A1 Oil suspension concentrate TST, PFAS, STS KDM4E 1810/4885PKM 2477/4885ALOX12 102/4885
US-20060276342-A1 Herbicidal compositions DDT, HDHD5, DGAT2 KDM4E 639/4885PKM 1696/4885ALOX12 917/4885
US-20150291518-A1 USE OF ACYLSULFONAMIDES FOR IMPROVING PLANT YIELD ARSA, ACSS2, NAT1 KDM4E 2044/4885PKM 1926/4885ALOX12 946/4885

“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.