SCHEMBL12534514

SCHEMBL12534514

O=C(O)CCCCCOc1ccc(O)cc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.68
PPARA Q07869 3/20 0.63
NR5A1 Q13285 1/20 0.59
ALDH2 P05091 7/20 0.56
MAOA P21397 6/20 0.56
MAOB P27338 6/20 0.56
PLA2G4B P0C869 1/20 0.56
ESR1 P03372 1/20 0.53

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
SCHEMBL7747968 1.00 ALB (0.68) ALBPPARANR5A1ALDH2MAOA
SCHEMBL2158826 1.00 ALB (0.68) ALBPPARANR5A1ALDH2MAOA
SCHEMBL2494017 0.98 ALB (0.66) ALBPPARANR5A1ALDH2MAOA
SCHEMBL1271045 0.92 ESR1 (0.59) ALBPPARANR5A1ESR1
SCHEMBL29141429 0.92 PPARA (0.71) ALBPPARAPLA2G4B
SCHEMBL21073528 0.92 PPARA (0.71) ALBPPARAPLA2G4B
SCHEMBL31448424 0.92 PPARA (0.71) ALBPPARAPLA2G4B
SCHEMBL31448470 0.90 PPARA (0.73) ALBPPARAPLA2G4B
SCHEMBL2468006 0.86 L3MBTL1 (0.69) ALBPPARANR5A1ESR1
SCHEMBL25228768 0.85 PPARA (0.72) ALBPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372882-B2 Functionalized phenolic esters and amides and polymers therefrom BEZWADA BIOMEDICAL, LLC (US) 2013-02-12 US disclosed
US-8372882-B2 Functionalized phenolic esters and amides and polymers therefrom BEZWADA BIOMEDICAL, LLC (US) 2013-02-12 US disclosed
US-20110130448-A1 FUNCTIONALIZED PHENOLIC ESTERS AND AMIDES AND POLYMERS THEREFROM BEZWADA BIOMEDICAL LLC (US) 2011-06-02 US disclosed
US-20110130448-A1 FUNCTIONALIZED PHENOLIC ESTERS AND AMIDES AND POLYMERS THEREFROM BEZWADA BIOMEDICAL LLC (US) 2011-06-02 US disclosed
US-7858077-B2 Functionalized phenolic esters and amides and polymers therefrom BEZWADA BIOMEDICAL LLC (US) 2010-12-28 US disclosed
US-7858077-B2 Functionalized phenolic esters and amides and polymers therefrom BEZWADA BIOMEDICAL LLC (US) 2010-12-28 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 (1 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-20110130448-A1 FUNCTIONALIZED PHENOLIC ESTERS AND AMIDES AND POLYMERS THEREFROM HAO2, HCAR2, HAAO ALB 874/4885PPARA 797/4885NR5A1 358/4885

“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.