SCHEMBL2114008

SCHEMBL2114008

COC(=O)c1cccc2ccc(O)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.54
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
CA7 P43166 3/20 0.54
CA9 Q16790 3/20 0.54
CA14 Q9ULX7 3/20 0.54
PDK2 Q15119 1/20 0.54
PDK4 Q16654 1/20 0.54
MAPT P10636 3/20 0.50
MTNR1A P48039 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
TRPV1 Q8NER1 3/20 0.48
MAPK8 P45983 1/20 0.48
MAPK9 P45984 1/20 0.48

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) CA12CA1CA2CA7CA9
SCHEMBL273978 0.87 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL30571222 0.87 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL19733167 0.84 ALDH1A1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL8599310 0.84 MTNR1A (0.48) MAPTMTNR1AMEN1KMT2ATRPV1
SCHEMBL68296 0.83 MAPT (0.51) CA12CA1CA2CA7CA9
SCHEMBL21845580 0.83 NR4A2 (0.53) MAPTMTNR1AMEN1KMT2ASLC6A2
SCHEMBL29576093 0.83 MAPT (0.51) CA12CA1CA2CA7CA9
SCHEMBL29403597 0.82 ALDH1A1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL6761980 0.82 ALDH1A1 (0.54) CA12CA1CA2CA7CA9

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-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-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
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 CA12 4667/4885CA1 4634/4885CA2 4041/4885
US-20100160398-A1 Farnesoid X Receptor Agonists NR1H4, NR1H3, NR1H2 CA12 4667/4885CA1 4634/4885CA2 4041/4885

“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.