SCHEMBL2741403

SCHEMBL2741403

O=C1CCCCCCCC/C=C\CCCCCCN1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 3/20 0.70
FKBP5 Q13451 1/20 0.70
OR51E2 Q9H255 1/20 0.58
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 2/20 0.33
CCR2 P41597 1/20 0.33
MERTK Q12866 1/20 0.33
TRIM24 O15164 1/20 0.31
TRIM33 Q9UPN9 1/20 0.31
CTSD P07339 2/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL9351391 1.00 CRBN (0.70) CRBNFKBP5OR51E2KDM4EGAA
SCHEMBL8467530 1.00 CRBN (0.70) CRBNFKBP5OR51E2KDM4EGAA
SCHEMBL20670738 1.00 CRBN (0.70) CRBNFKBP5OR51E2KDM4EGAA
SCHEMBL14125456 0.96 CRBN (0.62) CRBNFKBP5OR51E2KDM4EGAA
SCHEMBL17395304 0.96 CRBN (0.62) CRBNFKBP5OR51E2KDM4EGAA
SCHEMBL17395305 0.96 CRBN (0.62) CRBNFKBP5OR51E2KDM4EGAA
SCHEMBL17395306 0.96 CRBN (0.62) CRBNFKBP5OR51E2KDM4EGAA
SCHEMBL14125454 0.96 CRBN (0.62) CRBNFKBP5OR51E2KDM4EGAA
SCHEMBL17395319 0.91 CRBN (0.56) CRBNFKBP5OR51E2KDM4EGAA
SCHEMBL14232888 0.91 CRBN (0.56) CRBNFKBP5OR51E2KDM4EGAA

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160243535-A1 CATALYST COMPLEX WITH CARBENE LIGAND MATERIA, INC. 2016-08-25 US disclosed
US-20160243535-A1 CATALYST COMPLEX WITH CARBENE LIGAND MATERIA, INC. 2016-08-25 US disclosed
US-9339805-B2 Catalyst complex with carbene ligand MATERIA, INC. (US) 2016-05-17 US disclosed
US-9339805-B2 Catalyst complex with carbene ligand MATERIA, INC. (US) 2016-05-17 US disclosed
US-9233365-B2 Catalyst complex with carbene ligand MATERIA, INC. (US) 2016-01-12 US disclosed
US-9233365-B2 Catalyst complex with carbene ligand MATERIA, INC. (US) 2016-01-12 US disclosed
US-20150202610-A1 CATALYST COMPLEX WITH CARBENE LIGAND MATERIA, INC. (US) 2015-07-23 US disclosed
US-20150202610-A1 CATALYST COMPLEX WITH CARBENE LIGAND MATERIA, INC. (US) 2015-07-23 US disclosed
US-8859779-B2 Catalyst complex with carbene ligand MATERIA, INC. (US) 2014-10-14 US disclosed
US-8859779-B2 Catalyst complex with carbene ligand MATERIA, INC. (US) 2014-10-14 US disclosed
US-20120004418-A1 Catalyst Complex With Carbene Ligand MATERIA, INC. 2012-01-05 US disclosed
US-20120004418-A1 Catalyst Complex With Carbene Ligand MATERIA, INC. 2012-01-05 US disclosed
US-7902389-B2 Catalyst complex with carbene ligand MATERIA, INC. 2011-03-08 US disclosed
US-7902389-B2 Catalyst complex with carbene ligand MATERIA, INC. 2011-03-08 US disclosed
US-20100160642-A1 Catalyst Complex With Carbene Ligand UNIVERSITY OF NEW ORLEANS RESEARCH & TECHNOLOGY FOUNDATION, INC. (US) 2010-06-24 US disclosed
US-20100160642-A1 Catalyst Complex With Carbene Ligand UNIVERSITY OF NEW ORLEANS RESEARCH & TECHNOLOGY FOUNDATION, INC. (US) 2010-06-24 US disclosed
US-7622590-B1 Including a metal atom having anionic ligands, at least one nucleophilic carbene ligand, and an alkylidene, vinylidene, or allenylidene ligand; complexes are highly stable to air, moisture and thermal degradation; designed to efficiently carry out a variety of olefin metathesis reactions UNIVERSITY OF NEW ORLEANS FOUNDATION (US) 2009-11-24 US disclosed
US-7622590-B1 Including a metal atom having anionic ligands, at least one nucleophilic carbene ligand, and an alkylidene, vinylidene, or allenylidene ligand; complexes are highly stable to air, moisture and thermal degradation; designed to efficiently carry out a variety of olefin metathesis reactions UNIVERSITY OF NEW ORLEANS FOUNDATION (US) 2009-11-24 US disclosed
EP-1115491-B1 CATALYST COMPLEX WITH PHENYLINDENYLIDENE LIGAND UNIV NEW ORLEANS FOUNDATION (US) 2009-08-05 EP disclosed
US-5936100-A METAL CARBENE COMPLEXES OF RUTHENIUM OR OSMIUM STUDIENGESELLSCHAFT KOHLE MBH (DE) 1999-08-10 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-20120004418-A1 Catalyst Complex With Carbene Ligand ZC3H18, ZC3HAV1L, PDCD1LG2 CRBN 523/4885FKBP5 3035/4885OR51E2 517/4885
US-20150202610-A1 CATALYST COMPLEX WITH CARBENE LIGAND ZC3HAV1L, PDCD1LG2, ICOSLG CRBN 416/4885FKBP5 3220/4885OR51E2 332/4885
US-20100160642-A1 Catalyst Complex With Carbene Ligand ZC3H18, ZC3HAV1L, PDCD1LG2 CRBN 523/4885FKBP5 3035/4885OR51E2 517/4885
US-20160243535-A1 CATALYST COMPLEX WITH CARBENE LIGAND ZC3HAV1L, PDCD1LG2, ICOSLG CRBN 416/4885FKBP5 3220/4885OR51E2 332/4885

“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.