SCHEMBL1179795

SCHEMBL1179795

CCOC(=O)c1cccc(N2CCc3cc(OC)ccc3C2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.49
▸ ALOX5 P09917 1/20 0.49
▸ NPBWR1 P48145 1/20 0.47
▸ MCHR1 Q99705 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ NR1H4 Q96RI1 1/20 0.46
▸ MAPT P10636 4/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ AOC3 Q16853 5/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HPGD P15428 1/20 0.44

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
SCHEMBL19284532 0.79 MAPT (0.51) ALOX5NPBWR1MCHR1MAPTRAB9A
SCHEMBL12870758 0.79 AOC3 (0.58) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL1179369 0.78 ALDH1A1 (0.55) EGFRNR1H4MAPTSMN1; SMN2NPC1
SCHEMBL16848252 0.78 AOC3 (0.48) EGFRNPC1RAB9AAOC3
SCHEMBL1180475 0.78 EGFR (0.48) EGFRNR1H4MAPTRAB9ALMNA
SCHEMBL14158081 0.77 AOC3 (0.48) ATMMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL16848199 0.76 AOC3 (0.44) EGFRNPBWR1MCHR1NR1H4NPC1
SCHEMBL16827502 0.76 AOC3 (0.49) EGFRMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL16848202 0.75 AOC3 (0.61) SMN1; SMN2NPC1RAB9AAOC3MEN1
SCHEMBL16827429 0.75 AOC3 (0.48) EGFRNPC1RAB9AAOC3

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 EGFR 2004/4885ALOX5 994/4885NPBWR1 903/4885

“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.

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