SCHEMBL737681

SCHEMBL737681

CC(C)(O)C#Cc1ccc(F)c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
MAP3K14 Q99558 6/20 0.34
TTBK1 Q5TCY1 1/20 0.33
EGFR P00533 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
FABP4 P15090 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
ATM Q13315 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR1B P28222 1/20 0.31
HTR2B P41595 1/20 0.31
GPR65 Q8IYL9 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
AR P10275 1/20 0.30

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
SCHEMBL14873786 0.79 RXFP1 (0.37) L3MBTL1SLC22A12FABP4KMT2AAR
SCHEMBL737644 0.79 KDM4E (0.50) HTTL3MBTL1TTBK1EGFRKMT2A
SCHEMBL2912869 0.77 TTBK1 (0.35) HTTL3MBTL1MAP3K14TTBK1EGFR
SCHEMBL737111 0.75 CHAT (0.46) HTTKMT2AALDH1A1TSHR
Bicarbonate SCHEMBL28536229 0.72 HTT (0.46) HTTL3MBTL1MAP3K14
SCHEMBL5572138 0.71 SLC6A4 (0.33) HTTL3MBTL1FABP4ALDH1A1TSHR
SCHEMBL20475901 0.71 TTBK1 (0.38) MAP3K14TTBK1CNR1CNR2
SCHEMBL737137 0.70 LYN (0.38) MAP3K14TTBK1EGFR
SCHEMBL6351489 0.70 ACACB (0.41) HTTL3MBTL1MAP3K14TTBK1EGFR
SCHEMBL16182688 0.70 HTT (0.41) HTTL3MBTL1MAP3K14TTBK1EGFR

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 1839/4885MAP3K14 2401/4885

“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.