SCHEMBL2113706

SCHEMBL2113706

COC(=O)c1cccc2cc(-c3ccc(O)cc3)ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.55
ESR1 P03372 4/20 0.55
HSD17B1 P14061 4/20 0.55
HSD17B2 P37059 4/20 0.55
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
ERN1 O75460 1/20 0.47
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
PDK2 Q15119 1/20 0.45
PDK4 Q16654 1/20 0.45
PDE4B Q07343 1/20 0.45
SCN9A Q15858 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 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
SCHEMBL2114031 0.88 SLC6A3 (0.51) ESR2ESR1HSD17B1HSD17B2SLC6A2
SCHEMBL273978 0.88 CA12 (0.54) SLC6A2SLC6A4SLC6A3CA12CA1
SCHEMBL30571222 0.88 CA12 (0.54) SLC6A2SLC6A4SLC6A3CA12CA1
SCHEMBL2113523 0.85 CDC25B (0.53) ESR2ESR1HSD17B1HSD17B2CA12
SCHEMBL2114712 0.83 ESR1 (0.52) ESR2ESR1HSD17B1HSD17B2SLC6A2
SCHEMBL19733167 0.79 ALDH1A1 (0.56) SLC6A2SLC6A4SLC6A3CA12CA1
Dimethyl Phthalate SCHEMBL28245676 0.79 TSHR (0.62) SLC6A2SLC6A4SLC6A3CA12CA1
SCHEMBL30213808 0.78 LCK (0.58) SLC6A2SLC6A4SLC6A3ERN1CA12
SCHEMBL69179 0.78 LCK (0.58) SLC6A2SLC6A4SLC6A3ERN1CA12
SCHEMBL343944 0.78 NR4A2 (0.53) SLC6A2SLC6A4SLC6A3PDE4BSCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158665-B2 Farnesoid X receptor agonists GLAXOSMITHKLINE LLC (US) 2012-04-17 US disclosed
US-8158665-B2 Farnesoid X receptor agonists GLAXOSMITHKLINE LLC (US) 2012-04-17 US disclosed
US-8158665-B2 Farnesoid X receptor agonists GLAXOSMITHKLINE LLC (US) 2012-04-17 US disclosed
EP-1962838-B1 FARNESOID X RECEPTOR AGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-28 EP disclosed
US-20100160398-A1 Farnesoid X Receptor Agonists GLAXOSMITHKLINE LLC 2010-06-24 US disclosed
US-20100160398-A1 Farnesoid X Receptor Agonists GLAXOSMITHKLINE LLC 2010-06-24 US disclosed
US-20100160398-A1 Farnesoid X Receptor Agonists GLAXOSMITHKLINE LLC 2010-06-24 US disclosed
US-7705028-B2 Farnesoid X receptor agonists GLAXOSMITHKLINE LLC (US) 2010-04-27 US disclosed
US-7705028-B2 Farnesoid X receptor agonists GLAXOSMITHKLINE LLC (US) 2010-04-27 US disclosed
US-7705028-B2 Farnesoid X receptor agonists GLAXOSMITHKLINE LLC (US) 2010-04-27 US disclosed
EP-1962838-A2 FARNESOID X RECEPTOR AGONISTS Smithkline Beecham Corporation (US) 2008-09-03 EP disclosed
US-20080167356-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-10 US disclosed
US-20080167356-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-10 US disclosed
US-20080167356-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-10 US disclosed
WO-2007076260-A2 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed
WO-2007076260-A2 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 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 (2 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-20080167356-A1 FARNESOID X RECEPTOR AGONISTS NR1H4, NR1H3, NR1H2 ESR2 246/4885ESR1 362/4885HSD17B1 159/4885
US-20100160398-A1 Farnesoid X Receptor Agonists NR1H4, NR1H3, NR1H2 ESR2 246/4885ESR1 362/4885HSD17B1 159/4885

“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.