SCHEMBL1749669

SCHEMBL1749669

CCCCCOCc1ccc(C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 4/20 0.65
TP53 P04637 1/20 0.61
TSHR P16473 1/20 0.61
RARB P10826 10/20 0.57
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
RARA P10276 1/20 0.55
MAPT P10636 1/20 0.55
MTOR P42345 1/20 0.55
KMT2A Q03164 1/20 0.55
PLA2G4A P47712 1/20 0.54

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
SCHEMBL9321559 0.98 PLA2G4B (0.67) PLA2G4BTP53TSHRRARBMEN1
SCHEMBL15153312 0.98 PLA2G4B (0.67) PLA2G4BTP53TSHRRARBMEN1
SCHEMBL8067972 0.95 RARB (0.65) PLA2G4BTP53TSHRRARBMEN1
SCHEMBL1750568 0.95 PLA2G4B (0.63) PLA2G4BTP53TSHRRARBALDH1A1
SCHEMBL1749934 0.88 ALDH1A1 (0.57) PLA2G4BTP53TSHRRARBALDH1A1
SCHEMBL27945814 0.86 PLA2G4B (0.52) PLA2G4BTP53TSHRRARBALDH1A1
SCHEMBL27613996 0.86 NR4A2 (0.59) PLA2G4BTSHRMEN1ALDH1A1KMT2A
SCHEMBL12354617 0.85 RARB (0.73) PLA2G4BTP53TSHRRARBMEN1
SCHEMBL9260821 0.85 RARB (0.64) PLA2G4BTP53TSHRRARBMEN1
SCHEMBL9252654 0.85 RARB (0.69) PLA2G4BTP53TSHRRARBMEN1

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 13 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
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
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
EP-1010687-A2 Ester derivative, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 2000-06-21 EP disclosed
US-5755994-A LARGE DIELECTRIC ANISOTROPIC CHISSO CORPORATION (JP) 1998-05-26 US disclosed
CN-1136067-A Liquid crystalline alkynyltolan compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 1996-11-20 CN disclosed
EP-0738709-A2 Ester derivate, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1996-10-23 EP disclosed
US-5385693-A Having rapid response and low phase transition temperature SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-01-31 US disclosed
EP-0357372-B1 Optically active ester derivatives, preparation process thereof, liquid crystal materials and a light switching element SUMITOMO CHEMICAL CO (JP) 1994-11-17 EP disclosed
US-5264151-A Optically active ester derivatives, preparation process thereof, liquid crystal materials and a light switching element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-11-23 US disclosed
US-5124070-A High speed response SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-06-23 US disclosed
EP-0357372-A2 Optically active ester derivatives, preparation process thereof, liquid crystal materials and a light switching element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-03-07 EP 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 PLA2G4B 3585/4885TP53 4123/4885TSHR 3707/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 PLA2G4B 3604/4885TP53 4172/4885TSHR 3597/4885

“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.