SCHEMBL712752

SCHEMBL712752

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

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
ESR1 P03372 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
SCHEMBL712453 0.79 ALOX5AP (0.36) PDE3BPDE3AESR1
SCHEMBL9926822 0.76 PDE3B (0.39) PDE3BPDE3A
SCHEMBL5613058 0.73
SCHEMBL856445 0.72
SCHEMBL30608294 0.72
SCHEMBL711925 0.70 RARB (0.39) PDE3BPDE3A
SCHEMBL21479817 0.67 CHRM1 (0.42) PDE3BPDE3A
SCHEMBL17122947 0.66 AR (0.36) ESR1
SCHEMBL12707707 0.62 MPL (0.36)
SCHEMBL18069654 0.62 GRM2 (0.44) PDE3BPDE3AESR1

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-20060216754-A1 Process for the preparation of ring compounds PAULUTH DETLEF 2006-09-28 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 4006/4885ESR1 3804/4885
US-20080319235-A1 PROCESS FOR THE PREPARATION OF RING COMPOUNDS NBAS, HDHD5, DBF4 PDE3B 3888/4885PDE3A 3974/4885ESR1 3800/4885
US-20110034738-A1 PROCESS FOR THE PREPARATION OF RING COMPOUNDS NBAS, HDHD5, DBF4 PDE3B 3888/4885PDE3A 3974/4885ESR1 3800/4885
US-20090318727-A1 PROCESS FOR THE PREPARATION OF RING COMPOUNDS NBAS, HDHD5, DBF4 PDE3B 3888/4885PDE3A 3974/4885ESR1 3800/4885

“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.