SCHEMBL1179369

SCHEMBL1179369

COC(=O)c1cccc(N2Cc3cc(OC)ccc3C2=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.55
▸ LMNA P02545 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ PKM P14618 1/20 0.50
▸ HPGD P15428 3/20 0.46
▸ GAA P10253 1/20 0.46
▸ NR1H4 Q96RI1 1/20 0.45
▸ CTSG P08311 1/20 0.45
▸ CMA1 P23946 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CACNA2D1 P54289 1/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ESR1 P03372 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ NR4A1 P22736 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ PTPN7 P35236 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
SCHEMBL1179446 0.87 ALDH1A1 (0.56) ALDH1A1LMNAMAPK1RAB9APKM
SCHEMBL28633815 0.85 ALDH1A1 (0.72) ALDH1A1LMNAMAPK1NPC1RAB9A
SCHEMBL1180961 0.83 ALDH1A1 (0.51) ALDH1A1LMNAMAPK1NPC1RAB9A
SCHEMBL1179795 0.78 EGFR (0.49) ALDH1A1LMNAMAPK1NPC1RAB9A
SCHEMBL1180475 0.76 EGFR (0.48) ALDH1A1LMNAMAPK1RAB9APKM
SCHEMBL30666441 0.76 NPC1 (0.74) ALDH1A1LMNAMAPK1NPC1RAB9A
SCHEMBL29128053 0.76 NPC1 (0.74) ALDH1A1LMNAMAPK1NPC1RAB9A
SCHEMBL4713821 0.75 ALDH1A1 (0.56) ALDH1A1LMNAMAPK1NPC1RAB9A
SCHEMBL14158081 0.75 AOC3 (0.48) ALDH1A1NPC1RAB9APKMGAA
SCHEMBL4250029 0.75 NPC1 (0.63) ALDH1A1MAPK1NPC1RAB9APKM

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 ALDH1A1 2656/4885LMNA 4487/4885MAPK1 2644/4885

“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.

Send feedback