SCHEMBL736420

SCHEMBL736420

CC(C)(O)C#Cc1cccc2cccnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.44
TSHR P16473 2/20 0.44
CHRM1 P11229 1/20 0.44
COMT P21964 1/20 0.44
ADRA1A P35348 1/20 0.44
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
KDM4E B2RXH2 4/20 0.42
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
LMNA P02545 2/20 0.42
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 2/20 0.42
HTT P42858 2/20 0.42
GMNN O75496 1/20 0.42
TP53 P04637 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL11966088 0.78 KDM4E (0.50) MMP2TSHRCHRM1COMTADRA1A
SCHEMBL737644 0.76 KDM4E (0.50) COMTKDM4EMAPTTDP1LMNA
SCHEMBL736738 0.76 KDM4E (0.50) METAP2METAP1KDM4EMAPTTDP1
SCHEMBL6852617 0.74 KDM4E (0.50) MMP2TSHRCHRM1COMTADRA1A
SCHEMBL24693564 0.73 KDM4E (0.45) MMP2TSHRCHRM1COMTADRA1A
SCHEMBL14305140 0.73 KDM4E (0.45) MMP2TSHRCHRM1COMTADRA1A
SCHEMBL4175358 0.73 KDM4E (0.54) MMP2TSHRCHRM1COMTADRA1A
SCHEMBL737111 0.73 CHAT (0.46) TSHRHRH3KDM4EMAPTTDP1
SCHEMBL6852161 0.71 KDM4E (0.47) MMP2TSHRCHRM1COMTADRA1A
SCHEMBL737516 0.70 KDM4E (0.54) MMP2TSHRCHRM1COMTADRA1A

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 MMP2 4486/4885TSHR 3186/4885CHRM1 280/4885

“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.