SCHEMBL820060

SCHEMBL820060

C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.C[C@H](c1ccccc1)n1ccn([C@H](C)c2ccccc2)c1=[Ru](Cl)(Cl)=Cc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2D6 P10635 1/20 0.31
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL819728 0.84 PDE2A (0.33)
SCHEMBL819082 0.77 KDM4E (0.32)
Hydrochloric Acid SCHEMBL919094 0.77 HPGD (0.35) MEN1HPGDKMT2AHSD17B10CYP2D6
Hydrochloric Acid SCHEMBL5666044 0.75 HPGD (0.39) MEN1HPGDKMT2AHSD17B10CYP2D6
SCHEMBL4120090 0.71 ROCK2 (0.31)
SCHEMBL15388072 0.70
SCHEMBL2384831 0.69 TSHR (0.34) HPGDL3MBTL1
SCHEMBL1517475 0.67 TSHR (0.52) CYP2D6GAAL3MBTL1
SCHEMBL1507285 0.67 TSHR (0.52) CYP2D6GAAL3MBTL1
SCHEMBL16699727 0.67 BACE1 (0.30)

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150038723-A1 ALKYLIDENE COMPLEXES OF RUTHENIUM CONTAINING N-HETEROCYCLIC CARBENE LIGANDS; USE AS HIGHLY ACTIVE, SELECTIVE CATALYSTS FOR OLEFIN METATHESIS EVONIK DEGUSSA GMBH (DE) 2015-02-05 US disclosed
US-8153810-B2 Alkylidene complexes of ruthenium containing N-heterocyclic carbene ligands; use as highly active, selective catalysts for olefin metathesis EVONIK DEGUSSA GMBH (DE) 2012-04-10 US disclosed
US-20110282068-A1 ALKYLIDENE COMPLEXES OF RUTHENIUM CONTAINING N-HETEROCYCLIC CARBENE LIGANDS; USE AS HIGHLY ACTIVE, SELECTIVE CATALYSTS FOR OLEFIN METATHESIS EVONIK DEGUSSA GMBH (DE) 2011-11-17 US disclosed
US-20080207911-A1 ALKYLIDENE COMPLEXES OF RUTHENIUM CONTAINING N-HETEROCYCLIC CARBENE LIGANDS; USE AS HIGHLY ACTIVE, SELECTIVE CATALYSTS FOR OLEFIN METATHESIS EVONIK DEGUSSA GMBH (DE) 2008-08-28 US disclosed
US-7378528-B2 Alkylidene complexes of ruthenium containing N-heterocyclic carbene ligands; use as highly active, selective catalysts for olefin metathesis EVONIK DEGUSSA GMBH (DE) 2008-05-27 US disclosed
US-20080009598-A1 ALKYLIDENE COMPLEXES OF RUTHENIUM CONTAINING N-HETEROCYCLIC CARBENE LIGANDS; USE AS HIGHLY ACTIVE, SELECTIVE CATALYSTS FOR OLEFIN METATHESIS DEGUSSA AG (DE) 2008-01-10 US disclosed
US-7294717-B2 Alkylidene complexes of ruthenium containing N-heterocyclic carbene ligands; use as highly active, selective catalysts for olefin metathesis DEGUSSA AG (DE) 2007-11-13 US disclosed
EP-1087838-B1 ALKYLIDENE COMPLEXES OF RUTHENIUM WITH N-HETEROCYCLIC CARBENE LIGANDS AND THEIR USE AS CATALYSTS FOR OLEFIN METATHESIS DEGUSSA (DE) 2005-05-25 EP disclosed
US-20050013150-A2 ALKYLIDENE COMPLEXES OF RUTHENIUM CONTAINING N-HETEROCYCLIC CARBENE LIGANDS; USE AS HIGHLY ACTIVE, SELECTIVE CATALYSTS FOR OLEFIN METATHESIS Aventis Research @$amp; Technologies GmbH @$amp; Co. KG (DE) 2005-01-20 US disclosed
US-20040095792-A1 Alkylidene complexes of ruthenium containing N-heterocyclic carbene ligands; use as highly active, selective catalysts for olefin metathesis HERRMANN WOLFGANG ANTON (DE) 2004-05-20 US disclosed
US-6635768-B1 Inexpensive, highly active catalysts; high tolerance toward a variety of functional groups but also a wide range of possible variations in the ligand sphere DEGUSSA AG (DE) 2003-10-21 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-20110282068-A1 ALKYLIDENE COMPLEXES OF RUTHENIUM CONTAINING N-HETEROCYCLIC CARBENE LIGANDS; USE AS HIGHLY ACTIVE, SELECTIVE CATALYSTS FOR OLEFIN METATHESIS CBR1, NR2E1, OXER1 MEN1 978/4885HPGD 3076/4885KMT2A 4210/4885
US-20150038723-A1 ALKYLIDENE COMPLEXES OF RUTHENIUM CONTAINING N-HETEROCYCLIC CARBENE LIGANDS; USE AS HIGHLY ACTIVE, SELECTIVE CATALYSTS FOR OLEFIN METATHESIS OXER1, CBR1, AKR1C4 MEN1 1333/4885HPGD 2822/4885KMT2A 3240/4885
US-20080207911-A1 ALKYLIDENE COMPLEXES OF RUTHENIUM CONTAINING N-HETEROCYCLIC CARBENE LIGANDS; USE AS HIGHLY ACTIVE, SELECTIVE CATALYSTS FOR OLEFIN METATHESIS CBR1, NR2E1, OXER1 MEN1 911/4885HPGD 3174/4885KMT2A 4198/4885
US-20080009598-A1 ALKYLIDENE COMPLEXES OF RUTHENIUM CONTAINING N-HETEROCYCLIC CARBENE LIGANDS; USE AS HIGHLY ACTIVE, SELECTIVE CATALYSTS FOR OLEFIN METATHESIS CBR1, NR2E1, OXER1 MEN1 911/4885HPGD 3174/4885KMT2A 4198/4885

“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.