SCHEMBL736791

SCHEMBL736791

COc1ccc(C#C[Au][PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.43
KCNH2 Q12809 1/20 0.41
CA4 P22748 1/20 0.41
LTA4H P09960 2/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
NLRP3 Q96P20 1/20 0.39
TRPA1 O75762 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
L3MBTL1 Q9Y468 4/20 0.35
HAO1 Q9UJM8 1/20 0.35
GRM3 Q14832 1/20 0.35

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
SCHEMBL738590 0.82 APP (0.46) APPKCNH2MEN1NPC1RAB9A
SCHEMBL738137 0.78 FFAR1 (0.33) APP
SCHEMBL737243 0.75 MAPT (0.43) NPC1RAB9ACA12CA9L3MBTL1
SCHEMBL5552160 0.74 APP (0.65) APPKCNH2CA4LTA4HMEN1
SCHEMBL9715656 0.73 APP (0.63) APPKCNH2CA4LTA4HMEN1
SCHEMBL739039 0.72 CASP3 (0.47) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL28151462 0.71 APP (0.55) APPKCNH2CA4LTA4HMEN1
SCHEMBL10300057 0.70 APP (0.77) APPKCNH2CA4LTA4HNPC1
SCHEMBL674764 0.70 APP (0.77) APPKCNH2CA4LTA4HNPC1
SCHEMBL737971 0.69 GRM5 (0.38)

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 APP 3841/4885KCNH2 189/4885CA4 2673/4885

“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.