SCHEMBL9926822

SCHEMBL9926822

Cc1ccc(-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
PDE3B Q13370 5/20 0.39
PDE3A Q14432 5/20 0.39
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
KMT2A Q03164 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RPS6KA3 P51812 3/20 0.35
DHODH Q02127 1/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
PTGS2 P35354 3/20 0.33
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
AR P10275 1/20 0.33
PDK2 Q15119 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
SCHEMBL711925 0.81 RARB (0.39) PDE3BPDE3ANPC1RAB9ASMN1; SMN2
SCHEMBL12315382 0.81 PTGS2 (0.44) PDE3BPDE3ARPS6KA3DHODHCYP11B1
SCHEMBL13156763 0.80 PDE3B (0.37) PDE3BPDE3ARPS6KA3DHODHCYP11B1
SCHEMBL9926823 0.78 PDE3B (0.35) PDE3BPDE3AMEN1NPC1NFKB1
SCHEMBL19935706 0.78 DHODH (0.44) PDE3BPDE3AMEN1NPC1RAB9A
SCHEMBL12092807 0.77 PTGS2 (0.42) PDE3BPDE3ARPS6KA3DHODHPTGS2
SCHEMBL20312883 0.77 PTGS2 (0.40) PDE3BPDE3ARPS6KA3DHODHPTGS2
SCHEMBL712453 0.76 ALOX5AP (0.36) PDE3BPDE3ANPC1
SCHEMBL14074141 0.76 PDE3B (0.42) PDE3BPDE3ASMN1; SMN2RPS6KA3CYP11B1
SCHEMBL21771748 0.76 AKR1C3 (0.39) PDE3BPDE3ARPS6KA3PTGS2PDK2

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
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-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-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

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 PDE3B 3909/4885PDE3A 4006/4885MEN1 174/4885
US-20080319235-A1 PROCESS FOR THE PREPARATION OF RING COMPOUNDS NBAS, HDHD5, DBF4 PDE3B 3888/4885PDE3A 3974/4885MEN1 160/4885
US-20110034738-A1 PROCESS FOR THE PREPARATION OF RING COMPOUNDS NBAS, HDHD5, DBF4 PDE3B 3888/4885PDE3A 3974/4885MEN1 160/4885
US-20090318727-A1 PROCESS FOR THE PREPARATION OF RING COMPOUNDS NBAS, HDHD5, DBF4 PDE3B 3888/4885PDE3A 3974/4885MEN1 160/4885

“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.