SCHEMBL818747

SCHEMBL818747

C[C@H](c1cccc2ccccc12)n1ccn([C@H](C)c2cccc3ccccc23)c1=[Ru](Cl)(Cl)(=Cc1ccccc1)=c1n([C@H](C)c2cccc3ccccc23)ccn1[C@H](C)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.38
TSHR P16473 1/20 0.35
SLC6A4 P31645 1/20 0.35
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
NPBWR1 P48145 1/20 0.32
HSD11B1 P28845 1/20 0.32

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
SCHEMBL819423 0.81 MEN1 (0.41) ALDH1A1KMT2AHPGD
SCHEMBL16426719 0.71 CYP2C9 (0.44) PDE2ATSHRCYP2C9CYP2C19ALDH1A1
SCHEMBL28931321 0.62 SLC6A4 (0.53) SLC6A4CYP2C9CYP2C19ALDH1A1CYP1A2
SCHEMBL2992858 0.62 SLC6A4 (0.53) SLC6A4CYP2C9CYP2C19ALDH1A1CYP1A2
Hydrogen Peroxide SCHEMBL6286755 0.61 CYP1A2 (0.56) TSHRSLC6A4CYP2C9CYP2C19ALDH1A1
SCHEMBL2333290 0.61 ALDH1A1 (0.56) SLC6A4CYP2C9CYP2C19ALDH1A1CYP1A2
SCHEMBL29774251 0.61 ALDH1A1 (0.56) SLC6A4CYP2C9CYP2C19ALDH1A1CYP1A2
SCHEMBL4556534 0.61 ALDH1A1 (0.56) TSHRSLC6A4CYP2C9CYP2C19ALDH1A1
SCHEMBL12047423 0.61 ALDH1A1 (0.43) SLC6A4CYP2C9CYP2C19ALDH1A1CYP1A2
SCHEMBL20307892 0.61 ALDH1A1 (0.43) SLC6A4CYP2C9CYP2C19ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (3 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 4864/4885TSHR 590/4885SLC6A4 1378/4885
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 4867/4885TSHR 614/4885SLC6A4 1477/4885
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 4867/4885TSHR 614/4885SLC6A4 1477/4885

“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.