SCHEMBL819082

SCHEMBL819082

C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.Cl[Ru](Cl)(=Cc1ccccc1)=c1n(C2CCCCC2)ccn1C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
SLC18A3 Q16572 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL820060 0.77 MEN1 (0.33)
SCHEMBL15388072 0.75
SCHEMBL819728 0.72 PDE2A (0.33)
SCHEMBL2384831 0.71 TSHR (0.34) KDM4ESLC18A3ALDH1A1
SCHEMBL27934819 0.70 POLB (0.34) KDM4E
SCHEMBL4120090 0.69 ROCK2 (0.31)
SCHEMBL133552 0.69 BACE1 (0.30)
SCHEMBL16699727 0.69 BACE1 (0.30)
SCHEMBL4542343 0.68 POLB (0.35) KDM4EALDH1A1
SCHEMBL8411737 0.68 POLB (0.35) KDM4EALDH1A1

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 13 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
EP-1087838-A1 ALKYLIDENE COMPLEXES OF RUTHENIUM WITH N-HETEROCYCLIC CARBENE LIGANDS AND THEIR USE AS HIGHLY ACTIVE, SELECTIVE CATALYSTS FOR OLEFIN METATHESIS Aventis Research & Technologies GmbH & Co. KG (DE) 2001-04-04 EP disclosed
WO-1999051344-A1 ALKYLIDENE COMPLEXES OF RUTHENIUM WITH N-HETEROCYCLIC CARBENE LIGANDS AND THEIR USE AS HIGHLY ACTIVE, SELECTIVE CATALYSTS FOR OLEFIN METATHESIS AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 1999-10-14 WO 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 KDM4E 3608/4885SLC18A3 3151/4885ALDH1A1 1167/4885
US-20150038723-A1 ALKYLIDENE COMPLEXES OF RUTHENIUM CONTAINING N-HETEROCYCLIC CARBENE LIGANDS; USE AS HIGHLY ACTIVE, SELECTIVE CATALYSTS FOR OLEFIN METATHESIS OXER1, CBR1, AKR1C4 KDM4E 2979/4885SLC18A3 3147/4885ALDH1A1 494/4885
US-20080207911-A1 ALKYLIDENE COMPLEXES OF RUTHENIUM CONTAINING N-HETEROCYCLIC CARBENE LIGANDS; USE AS HIGHLY ACTIVE, SELECTIVE CATALYSTS FOR OLEFIN METATHESIS CBR1, NR2E1, OXER1 KDM4E 3688/4885SLC18A3 3225/4885ALDH1A1 1077/4885
US-20080009598-A1 ALKYLIDENE COMPLEXES OF RUTHENIUM CONTAINING N-HETEROCYCLIC CARBENE LIGANDS; USE AS HIGHLY ACTIVE, SELECTIVE CATALYSTS FOR OLEFIN METATHESIS CBR1, NR2E1, OXER1 KDM4E 3688/4885SLC18A3 3225/4885ALDH1A1 1077/4885

“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.