SCHEMBL1179873

SCHEMBL1179873

COC(=O)c1cccc(-c2ccc3ccc(OC)cc3c2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 7/20 0.70
PLAT P00750 4/20 0.70
PLG P00747 2/20 0.70
CYP11B2 P19099 3/20 0.65
CYP11B1 P15538 2/20 0.65
MTNR1A P48039 1/20 0.58
MTNR1B P49286 1/20 0.58
MEN1 O00255 1/20 0.56
CASP3 P42574 1/20 0.56
KMT2A Q03164 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
HSD17B1 P14061 2/20 0.56
HSD17B2 P37059 2/20 0.56
ERN1 O75460 2/20 0.55
CYP19A1 P11511 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53

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
SCHEMBL1179594 0.97 PLAU (0.73) PLAUPLATPLGCYP11B2CYP11B1
SCHEMBL14743822 0.91 PLAU (0.63) PLAUPLATPLGCYP11B2CYP11B1
SCHEMBL7815690 0.88 PLAU (0.71) PLAUPLATPLGCYP11B2CYP11B1
SCHEMBL7825137 0.86 PLAU (0.66) PLAUPLATPLGMEN1KMT2A
SCHEMBL6432447 0.85 NEK1 (0.63) PLAUPLATPLGMEN1KMT2A
SCHEMBL1180304 0.84 ERN1 (0.60) PLAUPLATPLGCYP11B2CYP11B1
SCHEMBL15897010 0.83 CYP11B1 (0.69) PLAUPLATPLGCYP11B2CYP11B1
SCHEMBL545959 0.83 KDM4E (0.66) PLAUPLATPLGCYP11B2CYP11B1
SCHEMBL1180166 0.82 PLAU (0.61) PLAUPLATPLGCYP11B2CYP11B1
SCHEMBL3659867 0.82 CYP11B1 (0.68) PLAUPLATPLGCYP11B2CYP11B1

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 6 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
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 PLAU 4054/4885PLAT 3554/4885PLG 4662/4885

“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.