SCHEMBL737356

SCHEMBL737356

[Au]C#Cc1ccccn1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
CYP3A4 P08684 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GRM5 P41594 8/20 0.42
KCNH2 Q12809 2/20 0.41
CYP1A2 P05177 3/20 0.40
FFAR1 O14842 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL737782 0.81 CYP3A4 (0.39) KDM4EGAACYP3A4TDP1GRM5
SCHEMBL352291 0.73 GRM5 (0.65) TDP1GRM5KCNH2CYP1A2
SCHEMBL738589 0.72 CYP3A4 (0.55) KDM4EGAACYP3A4TDP1GRM5
SCHEMBL4927688 0.69 GRM5 (0.55) TDP1GRM5KCNH2CYP1A2ALDH1A1
Methyl Alcohol SCHEMBL28902013 0.69 GRM5 (0.67) GRM5KCNH2CYP1A2FFAR1ALDH1A1
Dipyridyl SCHEMBL17094776 0.69 KDM4E (0.64) KDM4EGAACYP3A4TDP1CYP1A2
SCHEMBL30214468 0.69 FFAR1 (0.58) KDM4ECYP3A4GRM5KCNH2CYP1A2
SCHEMBL1809895 0.69 FFAR1 (0.58) KDM4ECYP3A4GRM5KCNH2CYP1A2
Benzene SCHEMBL29089199 0.69 GRM5 (0.50) TDP1GRM5KCNH2CYP1A2FFAR1
Pyridine SCHEMBL27493211 0.67 TDP1 (0.67) KDM4EGAACYP3A4TDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1847545-B1 SUBSTITUTED ETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME UBE INDUSTRIES (JP) 2013-03-06 EP disclosed
US-8137821-B2 Substituted ethynyl gold-nitrogen containing heterocyclic carbene complex and organic electroluminescent device using the same UBE INDUSTRIES, LTD. (JP) 2012-03-20 US disclosed
US-20090091243-A1 Substituted Ethynyl Gold-Nitrogen Containing Heterocyclic Carbene Complex and Organic Electroluminescent Device Using the Same UBE INDUSTRIES, LTD. (JP) 2009-04-09 US disclosed
EP-1847545-A1 SUBSTITUTED ETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME Ube Industries, Ltd. (JP) 2007-10-24 EP 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 (1 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-20090091243-A1 Substituted Ethynyl Gold-Nitrogen Containing Heterocyclic Carbene Complex and Organic Electroluminescent Device Using the Same ACSL3, ATXN2L, ACSL1 KDM4E 1868/4885GAA 3977/4885CYP3A4 1880/4885

“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.