SCHEMBL1179536

SCHEMBL1179536

COC(=O)c1cc(-c2ccc3cc(OC)ccc3c2)ccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 4/20 0.56
▸ CYP11B2 P19099 4/20 0.56
▸ CYP1A2 P05177 3/20 0.54
▸ CYP2D6 P10635 2/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ HSD17B1 P14061 6/20 0.53
▸ HSD17B2 P37059 6/20 0.53
▸ PLA2G2A P14555 2/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.48
▸ GSTP1 P09211 1/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ PLAU P00749 2/20 0.45
▸ PLG P00747 1/20 0.45
▸ PLAT P00750 1/20 0.45
▸ AKR1C3 P42330 1/20 0.45
▸ AKR1C2 P52895 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
SCHEMBL1180172 0.87 KDM4E (0.53) CYP11B1CYP11B2CYP1A2KDM4EHSD17B1
SCHEMBL2258923 0.86 KDM4E (0.60) CYP1A2CYP2D6CYP2C9CYP2C19KDM4E
SCHEMBL1179257 0.85 ESR2 (0.51) CYP1A2CYP2D6CYP2C9CYP2C19HSD17B1
SCHEMBL13970550 0.82 CYP11B1 (0.47) CYP11B1CYP11B2CYP1A2CYP2C9HSD17B1
SCHEMBL14063326 0.79 KDM4E (0.79) CYP11B1CYP11B2CYP1A2CYP2D6CYP2C9
SCHEMBL31337030 0.78 CA12 (0.50) HSD17B1SLC6A4SLC6A3
SCHEMBL22319386 0.78 NR4A2 (0.55) CYP1A2CYP2C19KDM4ESLC6A4SLC6A3
SCHEMBL15897010 0.78 CYP11B1 (0.69) CYP11B1CYP11B2CYP1A2KDM4EHSD17B1
SCHEMBL13828206 0.78 SLC6A2 (0.56) CYP11B1CYP11B2CYP1A2CYP2D6CYP2C9
SCHEMBL26882759 0.77 KDM4E (0.57) CYP11B1CYP11B2CYP1A2CYP2D6CYP2C9

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 5 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

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 113/4885CYP1A2 304/4885

“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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