SCHEMBL1179838

SCHEMBL1179838

COC(=O)c1cccc(-c2ccc3cc(OC)ccc3c2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.56
CYP11B2 P19099 3/20 0.56
MAPT P10636 3/20 0.50
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
ATM Q13315 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PLAU P00749 2/20 0.49
PLAT P00750 2/20 0.49
PLG P00747 1/20 0.49
CNR2 P34972 1/20 0.48
CYP1A2 P05177 3/20 0.48

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
SCHEMBL25002929 0.88 ADORA3 (0.52) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL1179891 0.86 HSD17B1 (0.47) MAPTCNR2CYP1A2HSD17B1HSD17B2
SCHEMBL4722006 0.82 MAPK1 (0.57) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL4720507 0.80 MAPT (0.46) MAPTKDM4ESMN1; SMN2NPC1ALDH1A1
SCHEMBL3711274 0.79 MCL1 (0.55) MAPTSMN1; SMN2ALDH1A1HPGDNPSR1
SCHEMBL4436292 0.79 NOTUM (0.57) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL859899 0.78 HSD17B14 (0.57) MAPTSMN1; SMN2NPC1RAB9ACNR2
SCHEMBL1179594 0.78 PLAU (0.73) CYP11B1CYP11B2PLAUPLATPLG
SCHEMBL29595815 0.78 MAPT (0.54) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL23037197 0.78 MAPT (0.54) MAPTSMN1; SMN2NPC1RAB9AALDH1A1

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 6 patents. 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
US-20110034507-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2011-02-10 US disclosed
US-20110034507-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2011-02-10 US disclosed
EP-2173174-A1 FARNESOID X RECEPTOR AGONISTS GlaxoSmithKline LLC (US) 2010-04-14 EP disclosed
WO-2009005998-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2009-01-08 WO disclosed
WO-2009005998-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2009-01-08 WO 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 CYP11B1 70/4885CYP11B2 113/4885MAPT 4267/4885

“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.