SCHEMBL736790

SCHEMBL736790

COc1ccc(C#C[Au])cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.44
KCNH2 Q12809 1/20 0.42
CA4 P22748 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
LTA4H P09960 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
NLRP3 Q96P20 1/20 0.40
CYP3A4 P08684 1/20 0.40
TRPA1 O75762 1/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
ACACB O00763 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 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
SCHEMBL738589 0.82 CYP3A4 (0.55) APPKCNH2TDP1MEN1NPC1
SCHEMBL49610 0.80 CA4 (0.59) CA4L3MBTL1LTA4HTDP1NPC1
SCHEMBL25308490 0.80 CA4 (0.59) CA4L3MBTL1LTA4HTDP1NPC1
SCHEMBL54543 0.80 CA4 (0.59) CA4L3MBTL1LTA4HTDP1NPC1
SCHEMBL736672 0.79 CYP1A2 (0.48) APPKCNH2TDP1CYP3A4ACACB
SCHEMBL738136 0.77 CYP3A4 (0.44) APPTDP1CYP3A4MMP2MMP9
SCHEMBL5552160 0.76 APP (0.65) APPKCNH2CA4L3MBTL1LTA4H
SCHEMBL19712307 0.75 APP (0.40) APPKCNH2L3MBTL1TDP1ATM
SCHEMBL737242 0.74 MAPT (0.44) L3MBTL1TDP1NPC1RAB9ACYP3A4
SCHEMBL9715656 0.74 APP (0.63) APPKCNH2CA4L3MBTL1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2776017-B1 GOLD COMPOUNDS HAVING ALKYNYL LIGANDS AND THERAPEUTIC USE THEREOF Technische Universität Braunschweig Carolo-Wilhelmina (DE) 2017-12-20 EP claimed
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.