SCHEMBL3143418

SCHEMBL3143418

COc1ccc(C(O)CCC(=O)O)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.54
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50
PPARA Q07869 1/20 0.50
NFKB1 P19838 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TNF P01375 1/20 0.47
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
LDHA P00338 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL10335590 0.85 PPARG (0.61) ACHEPPARGPPARDPPARANFKB1
SCHEMBL8771284 0.84 ACHE (0.56) ACHEPPARGPPARDPPARANFKB1
SCHEMBL6491466 0.80 PPARG (0.60) ACHEPPARGPPARDPPARANFKB1
SCHEMBL5492854 0.80 PDE4D (0.64) ACHEPPARGPPARDPPARANFKB1
SCHEMBL6581628 0.79 NFKB1 (0.57) ACHEPPARGPPARDPPARANFKB1
SCHEMBL7326986 0.79 PPARG (0.54) ACHEPPARGPPARDPPARANFKB1
SCHEMBL6807907 0.79 AOC3 (0.51) SMN1; SMN2LDHAPDE4BNPSR1KMT2A
SCHEMBL2007009 0.79 PPARG (0.54) ACHEPPARGPPARDPPARANFKB1
SCHEMBL6055199 0.79 PDE4D (0.62) ACHEPPARGPPARDPPARANFKB1
SCHEMBL7302974 0.79 ALDH1A1 (0.50) ACHEPPARGPPARDPPARATNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1347950-B1 DERIVATIVES OF 4-HYDROXYBUTANOIC ACID AND OF ITS HIGHER HOMOLOGUE AS LIGANDS OF GAMMA-HYDROXYBUTYRATE (GHB) RECEPTORS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND PHARMACEUTICAL USES UNIV LOUIS PASTEUR ETABLISSEME (FR) 2010-02-17 EP claimed
US-20050113366-A1 Derivatives of 4-hydroxybutanoic acid and of its higher homologue as ligands of $g(g)-hydroxybutyrate (ghb) receptors, pharmaceutical compositions containing same and pharmaceutical uses UNIVERSITE LOUIS PASTEUR (ETABLISSEMENT PUBLIC A CARACTERE SCIENTIFIQUE, CULTUREL ET PROFESSIONNEL) (FR) 2005-05-26 US claimed
US-20050113366-A1 Derivatives of 4-hydroxybutanoic acid and of its higher homologue as ligands of $g(g)-hydroxybutyrate (ghb) receptors, pharmaceutical compositions containing same and pharmaceutical uses UNIVERSITE LOUIS PASTEUR (ETABLISSEMENT PUBLIC A CARACTERE SCIENTIFIQUE, CULTUREL ET PROFESSIONNEL) (FR) 2005-05-26 US disclosed
US-20040014993-A1 Novel chemo-enzymatic process for the preparation of opticaly enriched beta-benzyl-gamma-butyrolactones COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2004-01-22 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 (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-20040014993-A1 Novel chemo-enzymatic process for the preparation of opticaly enriched beta-benzyl-gamma-butyrolactones BBOX1, BCHE, AOX1 ACHE 69/4885PPARG 4615/4885PPARD 4612/4885
US-20050113366-A1 Derivatives of 4-hydroxybutanoic acid and of its higher homologue as ligands of $g(g)-hydroxybutyrate (ghb) receptors, pharmaceutical compositions containing same and pharmaceutical uses GABRB1, GABRA1, GABRA5 ACHE 1741/4885PPARG 148/4885PPARD 278/4885

“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.