SCHEMBL1180940

SCHEMBL1180940

O=C(O)c1cccc(N2Cc3cc(O)ccc3C2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.51
ALDH1A1 P00352 4/20 0.50
HPGD P15428 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
KDM4E B2RXH2 3/20 0.48
GAA P10253 3/20 0.48
HSD17B10 Q99714 2/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA6 P23280 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL4083776 0.91 ALDH1A1 (0.54) NR1H4ALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL1179680 0.87 ALDH1A1 (0.54) NR1H4ALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL1179446 0.85 ALDH1A1 (0.56) NR1H4ALDH1A1HPGDCYP1A2CYP2D6
SCHEMBL30107672 0.85 NPC1 (0.67) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL28651978 0.85 NPC1 (0.67) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL4148074 0.83 CYP11B1 (0.61) NR1H4ALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL4716148 0.76 BDKRB1 (0.57) NR1H4ALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL30725837 0.75 ESR1 (0.72) ALDH1A1MEN1KMT2AKDM4EHSD17B10
SCHEMBL29172477 0.75 ESR1 (0.72) ALDH1A1MEN1KMT2AKDM4EHSD17B10
SCHEMBL4255714 0.75 NPC1 (0.46) CYP3A4CYP2D6CYP2C19MEN1KMT2A

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-20110034507-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2011-02-10 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-20110034507-A1 FARNESOID X RECEPTOR AGONISTS NR1H4, NR1H3, NR1H2 NR1H4 1/4885ALDH1A1 2656/4885HPGD 2171/4885

“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.