SCHEMBL6495175

SCHEMBL6495175

O=C(O)/C=C/C(=O)c1c[nH]c2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.72
RAB9A P51151 3/20 0.72
TDP1 Q9NUW8 1/20 0.72
MAOB P27338 1/20 0.61
GPR84 Q9NQS5 1/20 0.61
ALDH1A1 P00352 3/20 0.57
PBRM1 Q86U86 1/20 0.57
ATM Q13315 1/20 0.57
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
MAPT P10636 2/20 0.55
HPGD P15428 2/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NR4A2 P43354 2/20 0.54
ADAM17 P78536 1/20 0.54
MAPK1 P28482 2/20 0.54
KDM4E B2RXH2 1/20 0.54

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
SCHEMBL6495182 1.00 NPC1 (0.72) NPC1RAB9ATDP1MAOBGPR84
SCHEMBL29522745 0.84 NPC1 (1.00) NPC1RAB9ATDP1MAOBGPR84
SCHEMBL657690 0.84 NPC1 (1.00) NPC1RAB9ATDP1MAOBGPR84
SCHEMBL657691 0.84 NPC1 (1.00) NPC1RAB9ATDP1MAOBGPR84
SCHEMBL2728702 0.81 GPR84 (0.67) NPC1RAB9ATDP1MAOBGPR84
SCHEMBL29275315 0.80 NPC1 (0.63) NPC1RAB9ATDP1MAOBGPR84
SCHEMBL27984170 0.80 NPC1 (0.72) NPC1RAB9ATDP1MAOBGPR84
SCHEMBL64182 0.80 GPR84 (0.77) NPC1RAB9ATDP1GPR84ALDH1A1
SCHEMBL2235 0.80 NPC1 (0.62) NPC1RAB9ATDP1MAOBGPR84
SCHEMBL2236 0.80 NPC1 (0.62) NPC1RAB9ATDP1MAOBGPR84

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 1 patent. 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 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 NPC1 2463/4885RAB9A 3126/4885TDP1 2743/4885

“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.