SCHEMBL2812685

SCHEMBL2812685

CCOC(=O)c1noc2cc(-c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)cc3)ccc12

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.65
NR1I2 O75469 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2C9 P11712 1/20 0.64
LIFR P42702 1/20 0.64

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
SCHEMBL2002970 0.87 NR1H4 (0.82) NR1H4NR1I2CYP1A2CYP3A4CYP2C9
SCHEMBL3639460 0.87 NR1H4 (0.67) NR1H4NR1I2CYP1A2CYP3A4CYP2C9
SCHEMBL2814161 0.87 NR1H4 (0.65) NR1H4NR1I2CYP1A2CYP3A4CYP2C9
SCHEMBL2813809 0.86 NR1H4 (0.63) NR1H4NR1I2CYP1A2CYP3A4CYP2C9
SCHEMBL2000294 0.84 NR1H4 (0.84) NR1H4NR1I2CYP1A2CYP3A4CYP2C9
SCHEMBL2812516 0.83 NR1H4 (0.68) NR1H4NR1I2CYP1A2CYP3A4CYP2C9
SCHEMBL1999744 0.82 NR1H4 (0.85) NR1H4NR1I2CYP1A2CYP3A4CYP2C9
SCHEMBL2000785 0.82 NR1H4 (0.85) NR1H4NR1I2CYP1A2CYP3A4CYP2C9
SCHEMBL1998226 0.81 NR1H4 (0.71) NR1H4NR1I2CYP1A2CYP3A4CYP2C9
SCHEMBL2003828 0.81 NR1H4 (0.82) NR1H4CYP1A2CYP2C9LIFR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249179-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-09-30 US claimed
US-20100249179-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-09-30 US disclosed
US-20100249179-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-09-30 US disclosed
US-20100249179-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-09-30 US disclosed
EP-2170072-A1 FARNESOID X RECEPTOR AGONISTS GlaxoSmithKline LLC (US) 2010-04-07 EP disclosed
WO-2008157270-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 WO disclosed
WO-2008157270-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 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-20100249179-A1 Farnesoid X Receptor Agonists NR1H4, NR1H3, NR1H2 NR1H4 1/4885NR1I2 12/4885CYP1A2 219/4885

“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.