SCHEMBL712453

SCHEMBL712453

C[Si](C)(C)c1ccc(-c2ccc(Br)cc2F)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
NMUR2 Q9GZQ4 1/20 0.35
DGAT1 O75907 3/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
KDM1A O60341 2/20 0.31
ALOX5 P09917 1/20 0.31
KDM1B Q8NB78 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP7 P09237 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
PIK3R1 P27986 1/20 0.31

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
SCHEMBL8728544 0.79 DGAT1 (0.39) ALOX5APFEN1DGAT1NPC1KDM1A
SCHEMBL30075934 0.77 PDE3B (0.39) ALOX5APFEN1NMUR2DGAT1NPC1
SCHEMBL23723931 0.77 PDE3B (0.39) ALOX5APFEN1NMUR2DGAT1NPC1
SCHEMBL31310573 0.77 DGAT1 (0.46) ALOX5APFEN1NMUR2DGAT1NPC1
SCHEMBL14520998 0.77 DGAT1 (0.46) ALOX5APFEN1NMUR2DGAT1NPC1
SCHEMBL9926822 0.76 PDE3B (0.39) NPC1PDE3BPDE3A
SCHEMBL30608294 0.72
SCHEMBL856445 0.72
SCHEMBL711925 0.70 RARB (0.39) NPC1HTTPDE3BPDE3AALOX5
SCHEMBL30075973 0.70 CYP11B1 (0.37) ALOX5APFEN1NMUR2DGAT1KDM1A

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 25 patents — showing the first 20. 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
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-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
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-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
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 (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 ALOX5AP 3832/4885FEN1 2236/4885NMUR2 2685/4885
US-20120149943-A1 PROCESS FOR THE PREPARATION OF RING COMPOUNDS NBAS, HDHD5, DBF4 ALOX5AP 3845/4885FEN1 2267/4885NMUR2 2677/4885
US-20080319235-A1 PROCESS FOR THE PREPARATION OF RING COMPOUNDS NBAS, HDHD5, DBF4 ALOX5AP 3832/4885FEN1 2236/4885NMUR2 2685/4885
US-20110034738-A1 PROCESS FOR THE PREPARATION OF RING COMPOUNDS NBAS, HDHD5, DBF4 ALOX5AP 3832/4885FEN1 2236/4885NMUR2 2685/4885

“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.