SCHEMBL9926841

SCHEMBL9926841

CCCc1ccc(-c2cc(F)c3c(ccc4c(F)c(F)c(F)cc43)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.35
ESR2 Q92731 7/20 0.35
RARB P10826 2/20 0.35
RARA P10276 1/20 0.35
RARG P13631 1/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MCL1 Q07820 1/20 0.33
CYP17A1 P05093 1/20 0.32
CYP21A2 P08686 1/20 0.32
CYP11B1 P15538 1/20 0.32
ALOX5 P09917 1/20 0.31
MAPT P10636 1/20 0.31
GFER P55789 1/20 0.31
MAOB P27338 1/20 0.30
MPL P40238 1/20 0.30

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
SCHEMBL9926840 0.85 ESR1 (0.38) ESR1ESR2RARBRARARARG
SCHEMBL14525988 0.82 ESR1 (0.39) ESR1ESR2RARBRARARARG
SCHEMBL14525990 0.82 RARB (0.39) ESR1ESR2RARBRARARARG
SCHEMBL14525987 0.80 MCL1 (0.40) ESR1ESR2RARBRARARARG
SCHEMBL14525745 0.78 RARB (0.46) RARBRARARARGNPC1RAB9A
SCHEMBL16258127 0.78 RARB (0.46) RARBRARARARGNPC1RAB9A
SCHEMBL9764255 0.78 RARB (0.46) RARBRARARARGNPC1RAB9A
SCHEMBL16210613 0.76 RARB (0.38) ESR1ESR2RARBRARARARG
SCHEMBL5683972 0.76 ESR1 (0.41) ESR1ESR2RARBRARARARG
SCHEMBL17356686 0.76 ESR1 (0.33) ESR1ESR2RARBRARARARG

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 20 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-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-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
US-8124817-B2 Process for the preparation of ring compounds MERCK PATENT GMBH (DE) 2012-02-28 US disclosed
US-20110034738-A1 PROCESS FOR THE PREPARATION OF RING COMPOUNDS PAULUTH DETLEF 2011-02-10 US disclosed
US-20110034738-A1 PROCESS FOR THE PREPARATION OF RING COMPOUNDS PAULUTH DETLEF 2011-02-10 US disclosed
US-7842845-B2 Process for the preparation of ring compounds MERCK GMBH (DE) 2010-11-30 US disclosed
US-7842845-B2 Process for the preparation of ring compounds MERCK GMBH (DE) 2010-11-30 US disclosed
US-7786332-B2 Process for the preparation of ring compounds MERCK PATENT GMBH (DE) 2010-08-31 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
US-20090318727-A1 PROCESS FOR THE PREPARATION OF RING COMPOUNDS PAULUTH DETLEF 2009-12-24 US disclosed
US-20080319235-A1 PROCESS FOR THE PREPARATION OF RING COMPOUNDS PAULUTH DETLEF 2008-12-25 US 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-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-7183447-B2 Process for the preparation of ring compounds MERCK PATENT GMBH (DE) 2007-02-27 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-20120149943-A1 PROCESS FOR THE PREPARATION OF RING COMPOUNDS NBAS, HDHD5, DBF4 ESR1 3804/4885ESR2 3613/4885RARB 54/4885
US-20080319235-A1 PROCESS FOR THE PREPARATION OF RING COMPOUNDS NBAS, HDHD5, DBF4 ESR1 3800/4885ESR2 3636/4885RARB 58/4885
US-20110034738-A1 PROCESS FOR THE PREPARATION OF RING COMPOUNDS NBAS, HDHD5, DBF4 ESR1 3800/4885ESR2 3636/4885RARB 58/4885
US-20090318727-A1 PROCESS FOR THE PREPARATION OF RING COMPOUNDS NBAS, HDHD5, DBF4 ESR1 3800/4885ESR2 3636/4885RARB 58/4885

“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.