SCHEMBL600529

SCHEMBL600529

C=CCOCC(C)C(Oc1ccc(Cl)c2cccnc12)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.47
ALOX12 P18054 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP3A4 P08684 1/20 0.47
PKM P14618 1/20 0.46
GAA P10253 2/20 0.45
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 2/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
CCR6 P51684 2/20 0.41
HSP90AA1 P07900 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 3/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 2/20 0.40
MAPK1 P28482 1/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL29456554 0.82 KDM4E (0.54) KDM4EALOX12TDP1CYP3A4PKM
SCHEMBL599824 0.82 KDM4E (0.54) KDM4EALOX12TDP1CYP3A4PKM
SCHEMBL28455383 0.80 KDM4E (0.55) KDM4EALOX12TDP1CYP3A4PKM
SCHEMBL600528 0.79 KDM4E (0.48) KDM4EALOX12TDP1CYP3A4PKM
SCHEMBL14969487 0.79 KDM4E (0.50) KDM4EALOX12TDP1CYP3A4PKM
SCHEMBL571782 0.79 KDM4E (0.50) KDM4EALOX12TDP1CYP3A4PKM
SCHEMBL14969485 0.79 KDM4E (0.50) KDM4EALOX12TDP1CYP3A4PKM
SCHEMBL29514512 0.78 PKM (0.53) KDM4EALOX12TDP1CYP3A4PKM
SCHEMBL341876 0.78 PKM (0.53) KDM4EALOX12TDP1CYP3A4PKM
SCHEMBL571602 0.78 KDM4E (0.63) KDM4EALOX12TDP1CYP3A4PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629084-B2 Iodine-phenyl-substituted cyclic cetoenols BAYER CROPSCIENCE AG (DE) 2014-01-14 US claimed
US-20110130284-A1 CIS-ALKOXYSPIROCYCLIC BIPHENYL-SUBSTITUTED TETRAMIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-06-02 US claimed
US-5622910-A CROP PROTECTION AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1997-04-22 US claimed
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-20220264878-A1 HERBICIDAL COMPOSITION CONTAINING R-TYPE PYRIDYLOXY CARBOXYLIC ACID DERIVATIVE AND USE THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2022-08-25 US disclosed
EP-4005384-A1 HERBICIDAL COMPOSITION CONTAINING R-TYPE PYRIDYLOXY CARBOXYLIC ACID DERIVATIVE AND USE THEREOF Qingdao KingAgroot Chemical Compound Co., Ltd. (CN) 2022-06-01 EP disclosed
US-20200404914-A1 HERBICIDALLY ACTIVE BICYCLIC BENZAMIDES BAYER AG (DE) 2020-12-31 US disclosed
US-10869478-B2 Uses of 2-(2,4-dichlorophenyl)methyl-4,4-dimethyl-3-isoxazolidone as foliar herbicide BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-12-22 US disclosed
US-20200085055-A1 New uses of 2-(2,4-dichlorophenyl)methyl-4,4-dimethyl-3-isoxazolidone as foliar herbicide FMC CORPORATION 2020-03-19 US disclosed
US-7135434-B2 Herbicidally active composition comprising a mixture of A. a herbicidally active amount of one or more compounds of the HOECHST SCHERING AGREVO GMBH (DE) 2006-11-14 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
US-20020016263-A1 Liquid formulations AVENTIS CROPSCIENCE GMBH (DE) 2002-02-07 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 2233/4885ALOX12 2360/4885TDP1 2575/4885
US-20050070437-A1 Herbicide combinations comprising specific sulfonamides DDT, B2M, MTX2 KDM4E 4686/4885ALOX12 580/4885TDP1 4498/4885
US-10869478-B2 Uses of 2-(2,4-dichlorophenyl)methyl-4,4-dimethyl-3-isoxazolidone as foliar herbicide DDT, DRD4, DAO KDM4E 138/4885ALOX12 1529/4885TDP1 2656/4885
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 743/4885ALOX12 2707/4885TDP1 2791/4885
US-20230167088-A1 1-PYRAZINYLPYRAZOLYL-3-OXYALKYL ACIDS AND THEIR DERIVATIVES, AND THEIR USE FOR CONTROL OF UNDESIRED PLANT GROWTH AGPS, CBR3, HPD KDM4E 3651/4885ALOX12 1279/4885TDP1 2806/4885
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 1517/4885ALOX12 1480/4885TDP1 2462/4885
US-20200404914-A1 HERBICIDALLY ACTIVE BICYCLIC BENZAMIDES CBR3, CBR1, AOX1 KDM4E 3993/4885ALOX12 1134/4885TDP1 2148/4885
US-20110130284-A1 CIS-ALKOXYSPIROCYCLIC BIPHENYL-SUBSTITUTED TETRAMIC ACID DERIVATIVES DDT, AGXT, ABCC5 KDM4E 1990/4885ALOX12 2330/4885TDP1 1817/4885
US-20020016263-A1 Liquid formulations SLC25A1, SLC16A1, OTC KDM4E 2261/4885ALOX12 783/4885TDP1 172/4885
US-20200085055-A1 New uses of 2-(2,4-dichlorophenyl)methyl-4,4-dimethyl-3-isoxazolidone as foliar herbicide DDT, DAO, CYP4X1 KDM4E 158/4885ALOX12 1621/4885TDP1 2290/4885
US-20230159472-A1 SUBSTITUTED ISOPHTHALIC ACID DIAMIDES DDT, IDH2, DAO KDM4E 2190/4885ALOX12 2349/4885TDP1 1738/4885
US-20040224848-A1 Herbicides comprising benzoylcyclohexanediones and safeners DDT, HPD, HDHD5 KDM4E 3009/4885ALOX12 663/4885TDP1 1227/4885
US-20050233906-A1 Oil suspension concentrate TST, PFAS, STS KDM4E 1810/4885ALOX12 102/4885TDP1 2053/4885
US-20220264878-A1 HERBICIDAL COMPOSITION CONTAINING R-TYPE PYRIDYLOXY CARBOXYLIC ACID DERIVATIVE AND USE THEREOF HPD, DDT, CLPP KDM4E 3625/4885ALOX12 309/4885TDP1 921/4885

“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.