SCHEMBL6503232

SCHEMBL6503232

O=C(O)CCC(O)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.50
CYP2C9 P11712 2/20 0.50
HPGD P15428 2/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 4/20 0.44
ACP3 P15309 3/20 0.44
CYP1A2 P05177 3/20 0.43
KDM4E B2RXH2 1/20 0.42
METAP2 P50579 2/20 0.42
METAP1 P53582 2/20 0.42
CYP2D6 P10635 2/20 0.42
SLC6A4 P31645 1/20 0.42
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
CDC25B P30305 1/20 0.41
TSHR P16473 2/20 0.41
FOLH1 Q04609 1/20 0.41

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
SCHEMBL10354936 0.83 HPGD (0.60) CYP2C19CYP2C9HPGDHTTTDP1
SCHEMBL3134902 0.82 CYP2C19 (0.49) CYP2C19CYP2C9HPGDHTTTDP1
SCHEMBL250818 0.82 CYP2C19 (0.49) CYP2C19CYP2C9HPGDHTTTDP1
SCHEMBL27346979 0.80 CYP2C19 (0.47) CYP2C19CYP2C9HPGDHTTTDP1
SCHEMBL27415339 0.80 CYP2C19 (0.47) CYP2C19CYP2C9HPGDHTTTDP1
SCHEMBL27991615 0.79 CYP2C19 (0.48) CYP2C19CYP2C9HPGDHTTALDH1A1
SCHEMBL14617609 0.79 ALDH1A1 (0.46) CYP2C19HPGDALDH1A1CYP1A2KDM4E
SCHEMBL9014915 0.79 CYP2C9 (0.42) CYP2C19CYP2C9HPGDHTTALDH1A1
SCHEMBL16721027 0.78 METAP2 (0.52) CYP2C19CYP2C9ALDH1A1ACP3CYP1A2
SCHEMBL5384063 0.77 ALDH1A1 (0.47) CYP2C19CYP2C9HPGDHTTALDH1A1

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 CYP2C19 692/4885CYP2C9 1025/4885HPGD 515/4885

“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.