SCHEMBL148731

SCHEMBL148731

CCCc1cccc(CCC)c1-n1ccn(-c2c(CCC)cccc2CCC)c1=[Cu]Cl

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.33
GABRA1 P14867 1/20 0.31
GABRB2 P47870 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
SCHEMBL151785 0.71 HTR2A (0.32) DAO
SCHEMBL2537070 0.68
SCHEMBL25543304 0.67
SCHEMBL16167311 0.67 DAO (0.36) DAOGABRA1GABRB2
Hydrochloric Acid SCHEMBL929583 0.66 DAO (0.35) DAOGABRA1GABRB2
SCHEMBL199876 0.64 DAO (0.37) DAOGABRA1GABRB2
SCHEMBL25543306 0.64
SCHEMBL8340759 0.63 CYP3A4 (0.44)
SCHEMBL2014395 0.63 DRD2 (0.39) DAO
SCHEMBL142479 0.62 ADRA2B (0.44) DAOGABRA1GABRB2

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-9773986-B2 Copper(I)-carbene complexes and organic electroluminescent devices THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2017-09-26 US disclosed
US-9660294-B2 Electrolyte materials for batteries and methods for use WILDCAT DISCOVERY TECHNOLOGIES, INC. (US) 2017-05-23 US disclosed
US-8969632-B2 Passivation of a homogeneous hydrogenation catalyst for the production of ethylene glycol EASTMAN CHEMICAL COMPANY (US) 2015-03-03 US disclosed
US-20140125221-A1 3-COORDINATE COPPER(I)-CARBENE COMPLEXES THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2014-05-08 US disclosed
US-8580394-B2 3-coordinate copper(I)-carbene complexes UNIVERSAL DISPLAY CORPORATION (US) 2013-11-12 US disclosed
US-20130253230-A1 PASSIVATION OF A HOMOGENEOUS HYDROGENATION CATALYST FOR THE PRODUCTION OF ETHYLENE GLYCOL EASTMAN CHEMICAL COMPANY (US) 2013-09-26 US disclosed
US-20130065115-A1 Electrolyte Materials For Batteries And Methods For Use WILDCAT DISCOVERY TECHNOLOGIES, INC. (US) 2013-03-14 US disclosed
US-20120056529-A1 3-COORDINATE COPPER(I)-CARBENE COMPLEXES THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-03-08 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-20120056529-A1 3-COORDINATE COPPER(I)-CARBENE COMPLEXES AOC3, AOC2, OCIAD1 DAO 4029/4885GABRA1 3449/4885GABRB2 3319/4885
US-20130253230-A1 PASSIVATION OF A HOMOGENEOUS HYDROGENATION CATALYST FOR THE PRODUCTION OF ETHYLENE GLYCOL HPD, TALDO1, GRHPR DAO 317/4885GABRA1 2889/4885GABRB2 3547/4885

“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.