SCHEMBL571774

SCHEMBL571774

C=CCc1ccc2c(Cl)ccc(OC(CC=C)(C(=O)O)C(=O)O)c2n1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX12 P18054 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTGDR Q13258 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
NT5E P21589 1/20 0.31

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
SCHEMBL571798 0.77 PDE4B (0.44) KDM4ECYP3A4ALOX12TDP1PDE4A
SCHEMBL28907563 0.76 KDM4E (0.41) KDM4ECYP3A4ALOX12TDP1PTGDR
SCHEMBL3404103 0.67 PTGDR (0.35) KDM4ECYP3A4ALOX12TDP1PTGDR
SCHEMBL341040 0.63 PTGDR (0.40) KDM4ECYP3A4ALOX12TDP1PTGDR
SCHEMBL342560 0.63 KDM4E (0.47) KDM4ECYP3A4ALOX12TDP1PDE4A
SCHEMBL16132605 0.63 PDE4B (0.47) KDM4ECYP3A4ALOX12TDP1PDE4A
SCHEMBL342667 0.63 PTGDR2 (0.50) KDM4ETDP1PTGDRPTGDR2
SCHEMBL3609400 0.62 KDM4E (0.41) KDM4ECYP3A4ALOX12TDP1PTGDR
SCHEMBL342126 0.61 KDM4E (0.45) KDM4ECYP3A4ALOX12TDP1PDE4D
SCHEMBL4459273 0.61 KDM4E (0.48) KDM4ECYP3A4ALOX12TDP1

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-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-9848602-B2 Use of prothioconazole to induce host defence responses BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-26 US disclosed
US-9809542-B2 Spiroheterocyclically substituted tetramic acid derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-11-07 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-9375002-B2 5-aminopyrimidine derivatives and use thereof for combating undesired plant growth BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-28 US disclosed
US-9332759-B2 Herbicide safener compositions BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-10 US disclosed
WO-2009015064-A2 IMPROVED PROCESSES FOR THE CONTROL OF UNDESIRED VEGETATION GOWAN CO. (US) 2009-01-29 WO disclosed
US-20070124839-A1 Active substances for increasing the stress defense in plants to abiotic stress, and methods of finding them BAYER CROPSCIENCE GMBH (DE) 2007-05-31 US disclosed
US-20070015661-A1 Herbicide/safener combination BAYER CROPSCIENCE GMBH (DE) 2007-01-18 US disclosed
US-20070015662-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-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

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

For each of this compound's patents that has machine-readable text (11 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 2233/4885CYP3A4 517/4885ALOX12 2360/4885
US-20070015662-A1 Herbicide/safener combination CYP2W1, CBR3, DDT KDM4E 3689/4885CYP3A4 69/4885ALOX12 1565/4885
US-20070015661-A1 Herbicide/safener combination CBR3, CBR1, GSR KDM4E 4426/4885CYP3A4 150/4885ALOX12 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 3651/4885CYP3A4 1041/4885ALOX12 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 1517/4885CYP3A4 1181/4885ALOX12 1480/4885
US-20070124839-A1 Active substances for increasing the stress defense in plants to abiotic stress, and methods of finding them HSF1, HSPA2, HSPA8 KDM4E 4725/4885CYP3A4 4812/4885ALOX12 1303/4885
US-10301257-B2 Use of acylsulfonamides for improving plant yield ARSA, ACSS2, NAT1 KDM4E 2044/4885CYP3A4 357/4885ALOX12 946/4885
US-20230159472-A1 SUBSTITUTED ISOPHTHALIC ACID DIAMIDES DDT, IDH2, DAO KDM4E 2190/4885CYP3A4 494/4885ALOX12 2349/4885
US-20040224848-A1 Herbicides comprising benzoylcyclohexanediones and safeners DDT, HPD, HDHD5 KDM4E 3009/4885CYP3A4 94/4885ALOX12 663/4885
US-20050233906-A1 Oil suspension concentrate TST, PFAS, STS KDM4E 1810/4885CYP3A4 744/4885ALOX12 102/4885
US-20060276342-A1 Herbicidal compositions DDT, HDHD5, DGAT2 KDM4E 639/4885CYP3A4 494/4885ALOX12 917/4885

“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.