SCHEMBL819728

SCHEMBL819728

C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.C[C@H](c1cccc2ccccc12)n1ccn([C@H](C)c2cccc3ccccc23)c1=[Ru](Cl)(Cl)=Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.33
METAP2 P50579 2/20 0.32
METAP1 P53582 2/20 0.32
ACP3 P15309 1/20 0.31
HSD11B1 P28845 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
SCHEMBL820060 0.84 MEN1 (0.33)
SCHEMBL4120090 0.72 ROCK2 (0.31)
SCHEMBL819082 0.72 KDM4E (0.32)
SCHEMBL15388072 0.65
SCHEMBL818747 0.65 PDE2A (0.38) PDE2AHSD11B1
SCHEMBL2384831 0.64 TSHR (0.34)
Hydrochloric Acid SCHEMBL919094 0.63 HPGD (0.35)
SCHEMBL16426719 0.62 CYP2C9 (0.44) PDE2AHSD11B1
SCHEMBL16699727 0.62 BACE1 (0.30)
SCHEMBL133552 0.62 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 10 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-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 PDE2A 4864/4885METAP2 4316/4885METAP1 4253/4885
US-20150038723-A1 ALKYLIDENE COMPLEXES OF RUTHENIUM CONTAINING N-HETEROCYCLIC CARBENE LIGANDS; USE AS HIGHLY ACTIVE, SELECTIVE CATALYSTS FOR OLEFIN METATHESIS OXER1, CBR1, AKR1C4 PDE2A 4881/4885METAP2 4328/4885METAP1 4384/4885
US-20080207911-A1 ALKYLIDENE COMPLEXES OF RUTHENIUM CONTAINING N-HETEROCYCLIC CARBENE LIGANDS; USE AS HIGHLY ACTIVE, SELECTIVE CATALYSTS FOR OLEFIN METATHESIS CBR1, NR2E1, OXER1 PDE2A 4867/4885METAP2 4265/4885METAP1 4116/4885
US-20080009598-A1 ALKYLIDENE COMPLEXES OF RUTHENIUM CONTAINING N-HETEROCYCLIC CARBENE LIGANDS; USE AS HIGHLY ACTIVE, SELECTIVE CATALYSTS FOR OLEFIN METATHESIS CBR1, NR2E1, OXER1 PDE2A 4867/4885METAP2 4265/4885METAP1 4116/4885

“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.