SCHEMBL1749895

SCHEMBL1749895

CCCCn1ccc2cc(C(=O)O)ccc21

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 2/20 0.59
PLG P00747 1/20 0.55
PLAU P00749 1/20 0.55
HCAR3 P49019 2/20 0.52
NR1H2 P55055 1/20 0.49
PPARA Q07869 1/20 0.49
NR1H3 Q13133 1/20 0.49
MCL1 Q07820 4/20 0.49
BCL2 P10415 3/20 0.47

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
SCHEMBL846081 0.96 PLA2G4A (0.61) PLA2G4APLGPLAUHCAR3NR1H2
SCHEMBL7340362 0.94 PLA2G4A (0.63) PLA2G4APLGPLAUHCAR3NR1H2
SCHEMBL4934703 0.91 PLA2G4A (0.55) PLA2G4APLGPLAUHCAR3NR1H2
SCHEMBL3351795 0.88 MCL1 (0.61) PLA2G4AHCAR3MCL1BCL2
SCHEMBL4813289 0.85 PLG (0.55) PLA2G4APLGPLAUNR1H2PPARA
SCHEMBL6754275 0.85 PLG (0.51) PLA2G4APLGPLAUMCL1BCL2
SCHEMBL2932437 0.85 MCL1 (0.55) PLA2G4APLGPLAUHCAR3NR1H2
SCHEMBL3349233 0.85 PLG (0.51) PLA2G4APLGPLAU
SCHEMBL5387474 0.84 TUBB4A (0.59) PLA2G4APLGPLAUHCAR3
SCHEMBL9034120 0.84 PLG (0.48) PLA2G4APLGPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
CN-100506792-C Substituted N-aryl heterocycles, method for the production thereof and their use as medicaments AVENTIS PHARMA GMBH (DE) 2009-07-01 CN disclosed
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-06 US disclosed
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 US disclosed
CN-1774418-A Substituted N-arylheterocycles, method for production and use thereof as medicaments AVENTIS PHARMA GMBH (DE) 2006-05-17 CN disclosed
EP-1597228-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-23 EP disclosed
EP-1590324-A1 NOVEL HETEROARYL-SUBSTITUTED ACETONE DERIVATIVES AS INHIBITORS OF PHOSPHOLIPASE A sb 2 /sb MERCKLE GMBH (DE) 2005-11-02 EP disclosed
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 US disclosed
WO-2004072025-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 WO disclosed
WO-2004069797-A1 NOVEL HETEROARYL-SUBSTITUTED ACETONE DERIVATIVES AS INHIBITORS OF PHOSPHOLIPASE A2 MERCKLE GMBH (DE) 2004-08-19 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 (2 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-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 PLA2G4A 3594/4885PLG 2813/4885PLAU 3907/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 PLA2G4A 3690/4885PLG 2306/4885PLAU 3430/4885

“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.