SCHEMBL4740356

SCHEMBL4740356

Cc1cc(C)cc(NCCNc2cc(C)cc(C)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.64
MAPT P10636 5/20 0.58
HTT P42858 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
RAPGEF4 Q8WZA2 1/20 0.44
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TRPA1 O75762 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 2/20 0.38
ICMT O60725 1/20 0.37

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
SCHEMBL8285560 0.87 THRB (0.57) THRBMAPTHTTCYP1A2CYP3A4
SCHEMBL11528767 0.86 THRB (0.52) THRBMAPTHTTCYP1A2CYP3A4
SCHEMBL11527382 0.86 MAPT (0.63) THRBMAPTHTTCYP1A2CYP3A4
SCHEMBL4863544 0.85 THRB (0.55) THRBMAPTHTTCYP1A2CYP3A4
SCHEMBL9766855 0.84 THRB (0.50) THRBMAPTHTTCYP1A2CYP3A4
SCHEMBL27893457 0.83 THRB (0.53) THRBMAPTHTTCYP1A2CYP3A4
SCHEMBL11530425 0.82 MAPT (0.56) THRBMAPTHTTCYP1A2CYP3A4
SCHEMBL29612835 0.82 THRB (0.52) THRBMAPTHTTCYP1A2CYP3A4
SCHEMBL8958338 0.81 THRB (0.52) THRBMAPTHTTCYP1A2CYP3A4
SCHEMBL28564265 0.81 THRB (0.52) THRBMAPTHTTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8361922-B2 Organometallic ruthenium complexes and related methods for the preparation of tetra-substituted and other hindered olefins MATERIA, INC. (US) 2013-01-29 US disclosed
US-8361922-B2 Organometallic ruthenium complexes and related methods for the preparation of tetra-substituted and other hindered olefins MATERIA, INC. (US) 2013-01-29 US disclosed
US-20120123133-A1 ORGANOMETALLIC RUTHENIUM COMPLEXES AND RELATED METHODS FOR THE PREPARATION OF TETRA-SUBSTITUTED AND OTHER HINDERED OLEFINS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-05-17 US disclosed
US-8008224-B2 Organometallic ruthenium complexes and related methods for the preparation of tetra-substituted and other hindered olefins MATERIA, INC. (US) 2011-08-30 US disclosed
US-20070282148-A1 Organometallic ruthenium complexes and related methods for the preparation of tetra-substituted and other hindered olefins CALIFORNIA INSTITUTE OF TECHNOLOGY 2007-12-06 US disclosed
US-20070282148-A1 Organometallic ruthenium complexes and related methods for the preparation of tetra-substituted and other hindered olefins CALIFORNIA INSTITUTE OF TECHNOLOGY 2007-12-06 US disclosed
US-4161528-A INSECTICIDES; MITICIDES CELAMERCK GMBH & CO. KG. (DE) 1979-07-17 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 (2 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-20120123133-A1 ORGANOMETALLIC RUTHENIUM COMPLEXES AND RELATED METHODS FOR THE PREPARATION OF TETRA-SUBSTITUTED AND OTHER HINDERED OLEFINS ORC3, OXER1, CBR3 THRB 3480/4885MAPT 2228/4885HTT 1107/4885
US-20070282148-A1 Organometallic ruthenium complexes and related methods for the preparation of tetra-substituted and other hindered olefins ORC3, OXER1, CBR3 THRB 3480/4885MAPT 2228/4885HTT 1107/4885

“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.