SCHEMBL6495705

SCHEMBL6495705

O=C(O)CCC(O)c1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.44
GRM8 O00222 1/20 0.42
GRM4 Q14833 1/20 0.42
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
FFAR1 O14842 1/20 0.41
TBXAS1 P24557 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
TET2 Q6N021 3/20 0.39
KDM4A O75164 2/20 0.39
KDM4C Q9H3R0 2/20 0.39
KDM2A Q9Y2K7 2/20 0.39
TET3 O43151 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
EPHX2 P34913 1/20 0.38

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
SCHEMBL11830231 0.90 MMP12 (0.51) BCHEMMP12MMP13
SCHEMBL7416398 0.83 GRM8 (0.38) GRM8GRM4MMP12MMP13KDM4E
SCHEMBL10372633 0.82 BCHE (0.46) BCHEGRM8GRM4MMP12MMP13
SCHEMBL8107873 0.82 RIPK1 (0.52) KDM4EALDH1A1CYP1A2CYP2C19CYP2D6
SCHEMBL258372 0.82 RIPK1 (0.52) KDM4EALDH1A1CYP1A2CYP2C19CYP2D6
SCHEMBL991988 0.82 RIPK1 (0.52) KDM4EALDH1A1CYP1A2CYP2C19CYP2D6
SCHEMBL4449939 0.80 MMP12 (0.47) BCHEGRM8GRM4MMP12MMP13
SCHEMBL3526103 0.80 MMP12 (0.47) BCHEGRM8GRM4MMP12MMP13
SCHEMBL27498071 0.79 BCHE (0.43) BCHEGRM8GRM4MMP12MMP13
SCHEMBL2638943 0.79 TBXAS1 (0.60) GRM8GRM4TBXAS1NAPRTEPHX2

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 BCHE 1549/4885GRM8 232/4885GRM4 103/4885

“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.