SCHEMBL737678

SCHEMBL737678

[Au]C#Cc1c2ccccc2cc2ccccc12.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
CYP1B1 Q16678 2/20 0.32
HTR2A P28223 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HIF1A Q16665 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CYP1A1 P04798 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
SCHEMBL739157 0.80 TDP1 (0.39) CYP3A4TDP1CYP1A2ALDH1A1HSD17B10
SCHEMBL738547 0.76 TDP1 (0.41) CYP3A4TDP1CYP1A2ALDH1A1HSD17B10
SCHEMBL14165957 0.74 ALDH1A1 (0.48) CYP3A4TDP1CYP1A2ALDH1A1HSD17B10
SCHEMBL738589 0.71 CYP3A4 (0.55) CYP3A4TDP1CYP1A2ALDH1A1HSD17B10
SCHEMBL5475228 0.71 CYP3A4 (0.48) CYP3A4TDP1CYP1A2ALDH1A1HSD17B10
SCHEMBL5012529 0.71 ALDH1A1 (0.44) CYP3A4TDP1CYP1A2ALDH1A1HSD17B10
SCHEMBL28392347 0.70 APP (0.52) CYP3A4TDP1CYP1A2ALDH1A1HSD17B10
SCHEMBL20662442 0.69 ALOX5 (0.50) CYP3A4TDP1CYP1A2ALDH1A1HSD17B10
SCHEMBL17599170 0.69 ALOX5 (0.50) CYP3A4TDP1CYP1A2ALDH1A1HSD17B10
SCHEMBL18091340 0.68 APP (0.50) CYP3A4TDP1CYP1A2ALDH1A1HSD17B10

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 CYP3A4 1880/4885TDP1 4435/4885CYP1A2 1177/4885

“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.