SCHEMBL1180302

SCHEMBL1180302

COC(=O)c1cccc(Cn2cnc3cc(OC)ccc32)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.54
PPARG P37231 1/20 0.54
IDO1 P14902 2/20 0.54
CDYL2 Q8N8U2 1/20 0.51
CDYL Q9Y232 1/20 0.51
CDY1; CDY1B Q9Y6F8 1/20 0.51
QPCT Q16769 1/20 0.51
QPCTL Q9NXS2 1/20 0.51
YTHDC1 Q96MU7 1/20 0.51
NR1H4 Q96RI1 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
HSD17B10 Q99714 2/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
ABHD6 Q9BV23 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL1179756 0.88 IDO1 (0.55) IDO1YTHDC1NR1H4SMN1; SMN2HSD17B10
SCHEMBL13085846 0.86 IDO1 (0.64) IDO1CDYL2CDYLCDY1; CDY1BYTHDC1
SCHEMBL7814456 0.82 FGFR1 (0.64) PPARGFGFR1
SCHEMBL6047768 0.81 CYP11B1 (0.60) QPCTQPCTLSMN1; SMN2HSD17B10LMNA
SCHEMBL14376815 0.79 HDAC6 (0.65) QPCTQPCTL
SCHEMBL14376802 0.79 HDAC6 (0.53) EPHX2PPARGQPCTQPCTLSMN1; SMN2
SCHEMBL8042067 0.77 PPARG (0.60) PPARGIDO1YTHDC1SMN1; SMN2MAPK1
SCHEMBL14976924 0.76 BRD4 (0.54) PPARGIDO1YTHDC1SMN1; SMN2KDM4E
SCHEMBL17807884 0.75 BRD4 (0.59) IDO1SMN1; SMN2ALDH1A1FGFR1
SCHEMBL30202437 0.75 BRD4 (0.59) IDO1SMN1; SMN2ALDH1A1FGFR1

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 4 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
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 EPHX2 1324/4885PPARG 38/4885IDO1 3242/4885

“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.