SCHEMBL3137531

SCHEMBL3137531

CC(=O)Nc1ccc(C(O)CCC(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
DHODH Q02127 1/20 0.50
ALDH1A1 P00352 4/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C1 Q04828 1/20 0.48
POLB P06746 2/20 0.47
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
MEN1 O00255 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 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
SCHEMBL9193955 0.83 DHODH (0.53) KDM4EDHODHALDH1A1AKR1C3AKR1C1
SCHEMBL11824779 0.79 LTA4H (0.48) ALDH1A1POLBGAAL3MBTL1SMN1; SMN2
SCHEMBL6324850 0.78 DHODH (0.54) KDM4EDHODHALDH1A1AKR1C3AKR1C1
SCHEMBL7153255 0.78 DHODH (0.54) KDM4EDHODHALDH1A1AKR1C3AKR1C1
SCHEMBL6535359 0.78 DHODH (0.54) KDM4EDHODHALDH1A1AKR1C3AKR1C1
SCHEMBL11760943 0.78 KCNQ2 (0.46) KDM4EDHODHALDH1A1L3MBTL1HTT
SCHEMBL11830873 0.78 USP5 (0.58) KDM4EALDH1A1POLBL3MBTL1SMN1; SMN2
SCHEMBL11838668 0.78 KMT2A (0.48) L3MBTL1KMT2AMAPTRAB9A
SCHEMBL11136904 0.77 NR1H4 (0.50) KDM4EALDH1A1AKR1C3AKR1C1POLB
SCHEMBL6318456 0.77 TDP1 (0.58) KDM4EDHODHALDH1A1AKR1C3AKR1C1

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 KDM4E 1917/4885DHODH 2951/4885ALDH1A1 590/4885

“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.