SCHEMBL737111

SCHEMBL737111

CC(C)(O)C#Cc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 1/20 0.46
GRM5 P41594 1/20 0.43
ASIC3 Q9UHC3 1/20 0.40
HRH3 Q9Y5N1 4/20 0.39
ACACB O00763 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP2A6 P11509 2/20 0.38
CYP1A2 P05177 1/20 0.38
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.36
MITF O75030 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
RAD52 P43351 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 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
SCHEMBL31257806 0.81 CHAT (0.46) CHATGRM5HRH3ACACBCA1
SCHEMBL10103862 0.77 ALDH1A1 (0.43) ASIC3ALDH1A1CYP1A2HSD17B10KDM4E
SCHEMBL29661843 0.77 CHAT (0.60) CHATGRM5HRH3ACACBCA1
SCHEMBL2776015 0.77 CHAT (0.60) CHATGRM5HRH3ACACBCA1
SCHEMBL6364668 0.75 CHAT (0.58) CHATGRM5HRH3ACACBCA1
SCHEMBL14873786 0.75 RXFP1 (0.37) ASIC3KMT2A
SCHEMBL737681 0.75 HTT (0.37) ALDH1A1HTTKMT2ATSHR
SCHEMBL25056553 0.75 CDC14B (0.43) ALDH1A1HSD17B10KDM4EMEN1MAPT
SCHEMBL737754 0.75 CYP1A2 (0.42) ASIC3ALDH1A1CYP1A2HSD17B10KDM4E
SCHEMBL14268119 0.75 TSHR (0.45) GRM5ASIC3ALDH1A1MEN1MAPT

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 CHAT 842/4885GRM5 1297/4885ASIC3 2999/4885

“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.