SCHEMBL1179945

SCHEMBL1179945

COC(=O)c1cncc(-c2ccc3cc(OC)ccc3c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 16/20 1.00
CYP11B1 P15538 15/20 1.00
CYP1A2 P05177 2/20 0.78
CYP3A4 P08684 2/20 0.78
CYP2C9 P11712 1/20 0.64
CYP19A1 P11511 2/20 0.56
HSD17B1 P14061 1/20 0.54
HSD17B2 P37059 1/20 0.54
CYP17A1 P05093 2/20 0.54
PLAU P00749 2/20 0.52
PLAT P00750 2/20 0.52
PLG P00747 1/20 0.52
MAP4K4 O95819 1/20 0.51

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
SCHEMBL5326283 0.88 CYP11B1 (0.79) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL1179546 0.86 CYP11B1 (0.76) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL15897010 0.82 CYP11B1 (0.69) CYP11B2CYP11B1CYP1A2CYP3A4CYP19A1
SCHEMBL3715051 0.82 ATM (0.69) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL1179594 0.81 PLAU (0.73) CYP11B2CYP11B1CYP1A2CYP3A4CYP19A1
SCHEMBL1179665 0.80 CYP11B1 (0.66) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL1179873 0.79 PLAU (0.70) CYP11B2CYP11B1CYP19A1HSD17B1HSD17B2
SCHEMBL3004402 0.79 CYP11B2 (1.00) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL641533 0.78 CYP11B2 (0.64) CYP11B2CYP11B1CYP1A2CYP3A4CYP19A1
SCHEMBL25002964 0.78 CYP11B2 (0.63) CYP11B2CYP11B1CYP1A2CYP3A4CYP19A1

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 CYP11B2 113/4885CYP11B1 70/4885CYP1A2 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.