SCHEMBL1179257

SCHEMBL1179257

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 13/20 0.51
▸ ESR1 P03372 12/20 0.51
▸ ABL1 P00519 2/20 0.50
▸ ABCB1 P08183 2/20 0.50
▸ BCR P11274 2/20 0.50
▸ CA12 O43570 2/20 0.49
▸ CA1 P00915 2/20 0.49
▸ CA2 P00918 2/20 0.49
▸ CA7 P43166 2/20 0.49
▸ CA9 Q16790 2/20 0.49
▸ CA14 Q9ULX7 2/20 0.49
▸ PDK2 Q15119 1/20 0.49
▸ PDK4 Q16654 1/20 0.49
▸ SLC6A2 P23975 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.48
▸ FTO Q9C0B1 1/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 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
SCHEMBL31337030 0.88 CA12 (0.50) ESR2ABL1ABCB1BCRCA12
SCHEMBL1179536 0.85 CYP11B1 (0.56) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
SCHEMBL11972220 0.84 CA12 (0.67) ABL1CA12CA1CA2CA7
SCHEMBL15897017 0.78 CA1 (0.61) ESR2ESR1ABL1ABCB1BCR
SCHEMBL22319386 0.78 NR4A2 (0.55) ABCB1SLC6A4SLC6A3CYP1A2CYP2C19
SCHEMBL13970422 0.78 ESR1 (0.50) ESR2ESR1ABL1ABCB1BCR
SCHEMBL10479344 0.77 CA12 (0.61) ESR2ESR1ABL1ABCB1BCR
SCHEMBL29188757 0.76 SLC6A4 (0.49) ESR2SLC6A4SLC6A3CYP1A2CYP2C19
SCHEMBL9143243 0.75 CA12 (0.54) ESR2CA12CA1CA2CA7
SCHEMBL1180166 0.75 PLAU (0.61) ESR2ESR1ABL1ABCB1BCR

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 ESR2 465/4885ESR1 915/4885ABL1 4217/4885

“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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