SCHEMBL6529208

SCHEMBL6529208

O=C(O)CCC(O)c1cc2ccccc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
BCL2L1 Q07817 1/20 0.46
ALOX5 P09917 3/20 0.46
CYP1A2 P05177 2/20 0.46
PTGES O14684 1/20 0.46
LMNA P02545 1/20 0.46
LTA4H P09960 1/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
ALOX5AP P20292 1/20 0.46
LOX P28300 1/20 0.46
EPHX2 P34913 1/20 0.46
PTGS2 P35354 1/20 0.46
LTB4R Q15722 1/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43

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
SCHEMBL3154321 0.87 ALOX5 (0.51) DRD1SLC6A2SLC6A4SLC6A3ALOX5
SCHEMBL6390193 0.82 HDAC1 (0.57)
SCHEMBL3144032 0.82 GAA (0.48) DRD1SLC6A2SLC6A4SLC6A3GAA
SCHEMBL21912351 0.80 SLC6A2 (0.47) DRD1SLC6A2SLC6A4SLC6A3ALOX5
SCHEMBL13187991 0.78 RAB9A (0.47) DRD1SLC6A2SLC6A4SLC6A3ALOX5
SCHEMBL3368580 0.77 PTGFR (0.57)
SCHEMBL3368587 0.77 PTGFR (0.57)
SCHEMBL20016570 0.77 PTGFR (0.57)
SCHEMBL13143407 0.77 PTGFR (0.57)
SCHEMBL10086858 0.77 PTGFR (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 DRD1 885/4885SLC6A2 804/4885SLC6A4 650/4885

“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.