SCHEMBL3147148

SCHEMBL3147148

O=C(O)CCC(O)c1ccc2oc3ccccc3c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
NPSR1 Q6W5P4 1/20 0.47
MMP12 P39900 3/20 0.44
MMP13 P45452 3/20 0.44
CYP2D6 P10635 1/20 0.44
ACSL1 P33121 2/20 0.43
ACSL6 Q9UKU0 2/20 0.43
NPY5R Q15761 1/20 0.42
KEAP1 Q14145 1/20 0.42
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TTR P02766 1/20 0.40
BCAT1 P54687 1/20 0.39

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
SCHEMBL7622927 0.83 NPSR1 (0.47) LMNANPSR1MMP12MMP13ACSL1
SCHEMBL8000904 0.77 LMNA (0.47) LMNANPSR1MMP12MMP13CYP2D6
SCHEMBL4456199 0.77 NPSR1 (0.42) LMNANPSR1MMP12MMP13ACSL1
SCHEMBL26574728 0.77 LMNA (0.52) LMNANPSR1MMP12MMP13CYP2D6
SCHEMBL3149011 0.75 CYP1A2 (0.57) NPSR1MMP12MMP13CYP2D6ALDH1A1
SCHEMBL11485002 0.74 MMP12 (0.52) LMNAMMP12MMP13NPY5RKMT2A
Furobufen SCHEMBL30901203 0.74 CYP1A2 (0.58) LMNANPSR1ACSL1ACSL6NPC1
Furobufen SCHEMBL43450 0.74 CYP1A2 (0.58) LMNANPSR1ACSL1ACSL6NPC1
SCHEMBL6503796 0.73 HDAC1 (0.65) CYP2D6KMT2AMEN1
SCHEMBL991988 0.73 RIPK1 (0.52) LMNACYP2D6KEAP1KDM4ENPC1

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 3 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

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-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 LMNA 2279/4885NPSR1 240/4885MMP12 4462/4885

“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.