SCHEMBL736203

SCHEMBL736203

Clc1ccc(C#C[Au])c2ncccc12.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.43
MAPT P10636 5/20 0.43
LMNA P02545 4/20 0.43
HSP90AA1 P07900 3/20 0.43
METAP2 P50579 2/20 0.43
METAP1 P53582 2/20 0.43
BRD4 O60885 1/20 0.43
ALDH1A1 P00352 6/20 0.42
SLC40A1 Q9NP59 1/20 0.40
MAPK1 P28482 2/20 0.39
KMT2A Q03164 5/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
CCR1 P32246 1/20 0.37
CCR8 P51685 1/20 0.37
TDP1 Q9NUW8 5/20 0.36
CYP3A4 P08684 3/20 0.36
ALOX12 P18054 3/20 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
SCHEMBL739711 0.84 KDM4E (0.43) KDM4EMAPTLMNAALDH1A1SLC40A1
SCHEMBL736196 0.78 KDM4E (0.39) KDM4EMAPTLMNAHSP90AA1METAP2
SCHEMBL7323209 0.70 KDM4E (0.56) KDM4EMAPTLMNAHSP90AA1METAP2
SCHEMBL27712289 0.70 KDM4E (0.56) KDM4EMAPTLMNAHSP90AA1METAP2
SCHEMBL740289 0.70 KDM4E (0.56) KDM4EMAPTLMNAHSP90AA1METAP2
SCHEMBL736204 0.70 KDM4E (0.42) KDM4EMAPTLMNAHSP90AA1METAP2
SCHEMBL736738 0.69 KDM4E (0.50) KDM4EMAPTLMNAHSP90AA1METAP2
SCHEMBL739799 0.68
SCHEMBL737356 0.67 KDM4E (0.48) KDM4EMAPTALDH1A1GAAL3MBTL1
SCHEMBL196536 0.67 KDM4E (0.70) KDM4EMAPTLMNAHSP90AA1METAP2

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 KDM4E 1868/4885MAPT 4507/4885LMNA 2067/4885

“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.