SCHEMBL712607

SCHEMBL712607

CCCc1ccc(-c2ccc(-c3ccc(I)c(F)c3F)c(F)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.40
RARA P10276 1/20 0.40
RARG P13631 1/20 0.40
MCL1 Q07820 1/20 0.38
CYP17A1 P05093 3/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MPL P40238 4/20 0.34
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
ALOX5 P09917 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL13986763 0.86 MPL (0.38) RARBRARARARGMCL1NPC1
SCHEMBL16377221 0.86 RARB (0.43) RARBRARARARGMCL1TAAR1
SCHEMBL12707711 0.85 MPL (0.38) RARBMCL1NPC1RAB9ATP53
SCHEMBL16377223 0.84 CTSL (0.41) RARBRARARARGMCL1CYP17A1
SCHEMBL20012960 0.84 RARB (0.41) RARBRARARARGMCL1TAAR1
SCHEMBL18779777 0.84 CTSL (0.41) RARBRARARARGMCL1CYP17A1
SCHEMBL16377234 0.83 RARB (0.47) RARBRARARARGMCL1CYP17A1
SCHEMBL502461 0.83 RARB (0.47) RARBRARARARGMCL1CYP17A1
SCHEMBL20013004 0.83 MCL1 (0.50) RARBRARARARGMCL1CYP17A1
SCHEMBL18083590 0.83 RARB (0.40) RARBRARARARGMCL1CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8350100-B2 Process for the preparation of ring compounds MERCK PATENT GMBH (DE) 2013-01-08 US disclosed
US-20120149943-A1 PROCESS FOR THE PREPARATION OF RING COMPOUNDS MERCK GMBH (DE) 2012-06-14 US disclosed
US-8124817-B2 Process for the preparation of ring compounds MERCK PATENT GMBH (DE) 2012-02-28 US disclosed
EP-2332944-A2 Process for the preparation of ring compounds Merck Patent GmbH (DE) 2011-06-15 EP disclosed
US-20110034738-A1 PROCESS FOR THE PREPARATION OF RING COMPOUNDS PAULUTH DETLEF 2011-02-10 US disclosed
US-20090318727-A1 PROCESS FOR THE PREPARATION OF RING COMPOUNDS PAULUTH DETLEF 2009-12-24 US disclosed
US-7411100-B2 Process for the preparation of ring compounds MERCK GMBH (DE) 2008-08-12 US disclosed
US-7183447-B2 Process for the preparation of ring compounds MERCK PATENT GMBH (DE) 2007-02-27 US disclosed
US-20060216754-A1 Process for the preparation of ring compounds PAULUTH DETLEF 2006-09-28 US disclosed
US-20040006235-A1 Process for the preparation of ring compounds MERCK PATENT GMBH (DE) 2004-01-08 US 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 (4 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-20040006235-A1 Process for the preparation of ring compounds NBAS, HDHD5, DBF4 RARB 58/4885RARA 107/4885RARG 165/4885
US-20120149943-A1 PROCESS FOR THE PREPARATION OF RING COMPOUNDS NBAS, HDHD5, DBF4 RARB 54/4885RARA 99/4885RARG 151/4885
US-20110034738-A1 PROCESS FOR THE PREPARATION OF RING COMPOUNDS NBAS, HDHD5, DBF4 RARB 58/4885RARA 107/4885RARG 165/4885
US-20090318727-A1 PROCESS FOR THE PREPARATION OF RING COMPOUNDS NBAS, HDHD5, DBF4 RARB 58/4885RARA 107/4885RARG 165/4885

“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.