SCHEMBL571798

SCHEMBL571798

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.44
PDE4A P27815 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
KDM4E B2RXH2 4/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX12 P18054 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PDE3A Q14432 1/20 0.35
PKM P14618 2/20 0.34
PARP1 P09874 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE10A Q9Y233 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
SCHEMBL342560 0.79 KDM4E (0.47) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL571774 0.77 KDM4E (0.32) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL28362662 0.76 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL6348670 0.72 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL571737 0.72 KDM4E (0.56) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL16132605 0.68 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL342126 0.67 KDM4E (0.45) PDE4DKDM4ECYP3A4ALOX12TDP1
SCHEMBL16132598 0.66 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL4701737 0.66 PDE4B (0.61) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL7323219 0.65 GABRA1 (0.39) KDM4EGAAHTTMRGPRX4

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 53 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-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
US-20150373975-A1 USE OF PROTHIOCONAZOLE TO INDUCE HOST DEFENCE RESPONSES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2015-12-31 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-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 (13 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 PDE4B 2620/4885PDE4A 3080/4885PDE4C 2783/4885
US-20050070437-A1 Herbicide combinations comprising specific sulfonamides DDT, B2M, MTX2 PDE4B 2791/4885PDE4A 2404/4885PDE4C 2785/4885
US-20070015662-A1 Herbicide/safener combination CYP2W1, CBR3, DDT PDE4B 2585/4885PDE4A 2351/4885PDE4C 3264/4885
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 PDE4B 2772/4885PDE4A 2775/4885PDE4C 2297/4885
US-20070015661-A1 Herbicide/safener combination CBR3, CBR1, GSR PDE4B 2764/4885PDE4A 2873/4885PDE4C 3768/4885
US-20230167088-A1 1-PYRAZINYLPYRAZOLYL-3-OXYALKYL ACIDS AND THEIR DERIVATIVES, AND THEIR USE FOR CONTROL OF UNDESIRED PLANT GROWTH AGPS, CBR3, HPD PDE4B 2131/4885PDE4A 1539/4885PDE4C 1824/4885
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 PDE4B 1435/4885PDE4A 1864/4885PDE4C 1512/4885
US-10301257-B2 Use of acylsulfonamides for improving plant yield ARSA, ACSS2, NAT1 PDE4B 1834/4885PDE4A 1736/4885PDE4C 2133/4885
US-20150373975-A1 USE OF PROTHIOCONAZOLE TO INDUCE HOST DEFENCE RESPONSES SLC11A2, ERG28, CYTH3 PDE4B 1781/4885PDE4A 2553/4885PDE4C 2509/4885
US-20230159472-A1 SUBSTITUTED ISOPHTHALIC ACID DIAMIDES DDT, IDH2, DAO PDE4B 2799/4885PDE4A 3054/4885PDE4C 2620/4885
US-20040224848-A1 Herbicides comprising benzoylcyclohexanediones and safeners DDT, HPD, HDHD5 PDE4B 2491/4885PDE4A 1809/4885PDE4C 2166/4885
US-20050233906-A1 Oil suspension concentrate TST, PFAS, STS PDE4B 2300/4885PDE4A 3527/4885PDE4C 3252/4885
US-20060276342-A1 Herbicidal compositions DDT, HDHD5, DGAT2 PDE4B 345/4885PDE4A 595/4885PDE4C 715/4885

“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.