SCHEMBL736738

SCHEMBL736738

CC(C)(O)C#Cc1ccc(Cl)c2cccnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.50
MAPT P10636 5/20 0.50
HSP90AA1 P07900 4/20 0.50
LMNA P02545 3/20 0.50
METAP2 P50579 2/20 0.50
METAP1 P53582 2/20 0.50
BRD4 O60885 1/20 0.50
CYP3A4 P08684 3/20 0.45
ALOX12 P18054 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
GAA P10253 1/20 0.42
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MMP14 P50281 3/20 0.42
HTT P42858 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TP53 P04637 2/20 0.42
ALOX15 P16050 2/20 0.42
SLC6A2 P23975 2/20 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
SCHEMBL737644 0.83 KDM4E (0.50) KDM4EMAPTHSP90AA1LMNATDP1
SCHEMBL27712289 0.77 KDM4E (0.56) KDM4EMAPTHSP90AA1LMNAMETAP2
SCHEMBL736420 0.76 MMP2 (0.44) KDM4EMAPTHSP90AA1LMNAMETAP2
SCHEMBL7323209 0.73 KDM4E (0.56) KDM4EMAPTHSP90AA1LMNAMETAP2
SCHEMBL740289 0.73 KDM4E (0.56) KDM4EMAPTHSP90AA1LMNAMETAP2
SCHEMBL12201788 0.70 KDM4E (0.56) KDM4EMAPTHSP90AA1LMNAMETAP2
SCHEMBL196536 0.70 KDM4E (0.70) KDM4EMAPTHSP90AA1LMNAMETAP2
SCHEMBL736203 0.69 KDM4E (0.43) KDM4EMAPTHSP90AA1LMNAMETAP2
SCHEMBL736204 0.68 KDM4E (0.42) KDM4EMAPTHSP90AA1LMNAMETAP2
SCHEMBL11444986 0.68 KCNH2 (0.46) LMNAALDH1A1L3MBTL1

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 6 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
CN-101111499-B Substituted ethynyl gold-nitrogen-containing heterocyclic carbene complex and organic electroluminescent device using the same UBE INDUSTRIES 2012-05-23 CN 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
CN-101111499-A Substituted ethynyl gold-nitrogenated heterocyclic carbene complex and organic electroluminescent device using same UBE INDUSTRIES (JP) 2008-01-23 CN 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 4507/4885HSP90AA1 4830/4885

“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.