SCHEMBL739253

SCHEMBL739253

CC(C)(O)C#Cc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
SRD5A2 P31213 1/20 0.47
MAPT P10636 2/20 0.47
ELANE P08246 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
RARB P10826 1/20 0.45
RARG P13631 1/20 0.45
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
ABCC9 O60706 2/20 0.44
ABCC8 Q09428 2/20 0.44
KCNJ11 Q14654 2/20 0.44
PDK1 Q15118 2/20 0.44
PDK2 Q15119 2/20 0.44
PDK3 Q15120 2/20 0.44

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
SCHEMBL1637026 0.85 L3MBTL1 (0.52) L3MBTL1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL8847204 0.84 ABCC9 (0.50) HTTALDH1A1SRD5A2ELANERARB
SCHEMBL22442356 0.84 RARB (0.62) HTTL3MBTL1LMNAALDH1A1TSHR
Bicarbonate SCHEMBL28540490 0.83 MAPT (0.51) HTTL3MBTL1LMNATSHRMAPT
SCHEMBL18561130 0.81 MAPT (0.53) HTTL3MBTL1LMNAALDH1A1TSHR
SCHEMBL487465 0.81 MAPT (0.56) HTTL3MBTL1LMNAALDH1A1TSHR
SCHEMBL737968 0.80 L3MBTL1 (0.52) HTTL3MBTL1LMNAALDH1A1TSHR
SCHEMBL1744898 0.79 ALDH1A1 (0.64) L3MBTL1LMNAALDH1A1SRD5A2MAPT
SCHEMBL12391039 0.79 ASIC3 (0.50) HTTL3MBTL1LMNAALDH1A1TSHR
SCHEMBL10411918 0.77 ALDH1A1 (0.61) L3MBTL1LMNAALDH1A1TSHRSRD5A2

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 HTT 3827/4885L3MBTL1 1839/4885LMNA 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.