SCHEMBL1180004

SCHEMBL1180004

COC(=O)c1cccc(Cn2ccc3cc(O)ccc32)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD74 P04233 1/20 0.54
MIF P14174 1/20 0.54
PLAU P00749 2/20 0.53
PLG P00747 1/20 0.53
HDAC6 Q9UBN7 4/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC3 O15379 3/20 0.50
HDAC1 Q13547 3/20 0.50
HDAC2 Q92769 3/20 0.50
HDAC10 Q969S8 2/20 0.50
LOXL2 Q9Y4K0 1/20 0.49
HDAC11 Q96DB2 1/20 0.48
CYP4F2 P78329 2/20 0.48
CYP4A11 Q02928 2/20 0.48
IDO1 P14902 1/20 0.47
YTHDC1 Q96MU7 1/20 0.46
ABHD6 Q9BV23 1/20 0.45
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
EPHX2 P34913 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
SCHEMBL1179732 0.91 KDM4E (0.52) CD74MIFPLAUPLGHDAC6
SCHEMBL6085688 0.86 HDAC1 (0.54) CD74MIFPLAUPLGHDAC6
SCHEMBL1180094 0.85 BCL2 (0.54) HDAC6HDAC8HDAC1HDAC11
SCHEMBL30185495 0.83 HDAC8 (0.54) PLAUPLGHDAC6HDAC8HDAC3
SCHEMBL30185504 0.83 HDAC8 (0.54) PLAUPLGHDAC6HDAC8HDAC3
SCHEMBL28580016 0.83 HDAC8 (0.54) PLAUPLGHDAC6HDAC8HDAC3
SCHEMBL3506950 0.83 PLAU (0.48) PLAUPLGHDAC6HDAC8HDAC3
SCHEMBL3109875 0.83 HDAC6 (0.61) PLAUPLGHDAC6HDAC8HDAC3
SCHEMBL9182305 0.80 PAX8 (0.51) PLAUPLGHDAC6HDAC8HDAC3
SCHEMBL1179756 0.79 IDO1 (0.55) CD74MIFLOXL2CYP4F2CYP4A11

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-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
CN-101877966-A Farnesoid X receptor agonists SMITHKLINE BEECHAM CORP 2010-11-03 CN 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 CD74 962/4885MIF 2038/4885PLAU 4054/4885

“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.