SCHEMBL6069968

SCHEMBL6069968

CCc1ccc(CC(=O)O)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.51
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
NLRP1 Q9C000 1/20 0.46
DGAT1 O75907 1/20 0.42
KDM5A P29375 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
THRA P10827 2/20 0.41
THRB P10828 2/20 0.41
ALDH1A1 P00352 3/20 0.41
CAMK2A Q9UQM7 3/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AKR1B1 P15121 1/20 0.40
SRC P12931 1/20 0.40
ERCC1 P07992 2/20 0.40
ERCC4 Q92889 2/20 0.40

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
SCHEMBL11859884 0.87 CA2 (0.67) CA2LMNATHRATHRBALDH1A1
SCHEMBL16267698 0.86 CA2 (0.47) CA2LMNAMAPK1NLRP1ALDH1A1
SCHEMBL32678875 0.84 LMNA (0.44) CA2LMNAMAPK1NLRP1
SCHEMBL32678876 0.84 LMNA (0.44) CA2LMNAMAPK1NLRP1
SCHEMBL32678874 0.84 LMNA (0.44) CA2LMNAMAPK1NLRP1
SCHEMBL11103613 0.84 CA2 (0.53) CA2LMNADGAT1THRATHRB
SCHEMBL510145 0.83 ALDH1A1 (0.45) CA2LMNAALDH1A1CAMK2AHPGD
SCHEMBL31254084 0.83 ALDH1A1 (0.45) CA2LMNAALDH1A1CAMK2AHPGD
SCHEMBL2602714 0.82 LMNA (0.46) LMNAMAPK1NLRP1KDM5AKDM4C
SCHEMBL14093025 0.81 TRPA1 (0.55) CA2LMNAMAPK1ALDH1A1CAMK2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109370-B2 Substituted phenylketoenols BAYER AKTIENGESELLSCHAFT (DE) 2006-09-19 US disclosed
US-20050187111-A1 Novel substituted phenylketoenols HAGEMANN HERMANN (DE) 2005-08-25 US disclosed
EP-1028963-B1 NOVEL SUBSTITUTED PHENYL KETO ENOLS BAYER CROPSCIENCE AG (DE) 2005-06-15 EP disclosed
US-6900341-B2 Substituted phenylketoenols BAYER AKTIENGESELLSCHAFT (DE) 2005-05-31 US disclosed
EP-1508560-A2 Substituted Phenylketoenols Bayer CropScience AG (DE) 2005-02-23 EP disclosed
US-20040102327-A1 Pesticides, herbicides; spiropyran-pyrroline-2-one deriva-tives HAGEMANN HERMANN (DE) 2004-05-27 US disclosed
US-6670488-B1 N-(phenylacetyl)-4-amino-4-carboxyethyl-2-methyl -tetrahydropyran intermediate cyclizes to 3-(phenyl)-5,5-((2-ethyl)- ethylene oxyethyl)-pyrrolin-2-one-4-carboxylate herbicide BAYER AKTIENGESELLSCHAFT (DE) 2003-12-30 US disclosed
US-20030228984-A1 Novel substituted phenylketoenols HAGEMANN HERMANN (DE) 2003-12-11 US disclosed
US-6608211-B1 Pesticides and herbicides; well tolerated by plants BAYER AKTIENGESELLSCHAFT (DE) 2003-08-19 US disclosed
EP-1028963-A1 NOVEL SUBSTITUTED PHENYL KETO ENOLS BAYER AG (DE) 2000-08-23 EP disclosed
WO-1999024437-A1 NOVEL SUBSTITUTED PHENYL KETO ENOLS BAYER AKTIENGESELLSCHAFT (DE) 1999-05-20 WO 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 (3 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-20030228984-A1 Novel substituted phenylketoenols AKR1A1, AKR1B1, AKR1C1 CA2 1660/4885LMNA 2230/4885MAPK1 613/4885
US-20050187111-A1 Novel substituted phenylketoenols PDHX, AKR1A1, AKR1B1 CA2 1850/4885LMNA 2051/4885MAPK1 1632/4885
US-20040102327-A1 Pesticides, herbicides; spiropyran-pyrroline-2-one deriva-tives PDHA1, PDHA2, DDT CA2 874/4885LMNA 2687/4885MAPK1 2290/4885

“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.