SCHEMBL711925

SCHEMBL711925

CCCc1ccc(-c2ccc(-c3ccc([Si](C)(C)C)c(F)c3F)c(F)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.39
RARA P10276 1/20 0.39
RARG P13631 1/20 0.39
MCL1 Q07820 1/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
PKM P14618 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 2/20 0.34
GFER P55789 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
CYP17A1 P05093 3/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
HTT P42858 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
NISCH Q9Y2I1 1/20 0.32

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
SCHEMBL12707707 0.87 MPL (0.36) RARBNPC1RAB9ASMN1; SMN2PKM
SCHEMBL12707678 0.87 NISCH (0.36) RARBMCL1NPC1RAB9ASMN1; SMN2
SCHEMBL18779777 0.82 CTSL (0.41) RARBRARARARGMCL1NPC1
SCHEMBL16377223 0.82 CTSL (0.41) RARBRARARARGMCL1NPC1
SCHEMBL20012960 0.82 RARB (0.41) RARBRARARARGMCL1NPC1
SCHEMBL9926822 0.81 PDE3B (0.39) NPC1RAB9ASMN1; SMN2PDE3BPDE3A
SCHEMBL16377234 0.81 RARB (0.47) RARBRARARARGMCL1NPC1
SCHEMBL16377221 0.81 RARB (0.43) RARBRARARARGMCL1NPC1
SCHEMBL712607 0.81 RARB (0.40) RARBRARARARGMCL1NPC1
SCHEMBL20013004 0.81 MCL1 (0.50) 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 14 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-7786332-B2 Process for the preparation of ring compounds MERCK PATENT GMBH (DE) 2010-08-31 US disclosed
US-20090318727-A1 PROCESS FOR THE PREPARATION OF RING COMPOUNDS PAULUTH DETLEF 2009-12-24 US disclosed
EP-2103589-A1 Polypenylenes as liquid crystals Merck Patent GmbH (DE) 2009-09-23 EP disclosed
US-20080319235-A1 PROCESS FOR THE PREPARATION OF RING COMPOUNDS PAULUTH DETLEF 2008-12-25 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
EP-1346995-A1 Process for the preparation of ring compounds MERCK PATENT GmbH (DE) 2003-09-24 EP 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 (5 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-20080319235-A1 PROCESS FOR THE PREPARATION OF RING COMPOUNDS NBAS, HDHD5, DBF4 RARB 58/4885RARA 107/4885RARG 165/4885
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.