SCHEMBL739722

SCHEMBL739722

CC(C)(O)C#Cc1ccc(F)cn1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.47
TNIK Q9UKE5 7/20 0.41
TTBK1 Q5TCY1 4/20 0.38
CHUK O15111 2/20 0.37
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
PAK4 O96013 1/20 0.35

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
SCHEMBL17036514 0.85 GRM5 (0.50) GRM5KMT2AATM
SCHEMBL18034675 0.79 TTBK1 (0.43) TTBK1CHUKPAK4
SCHEMBL25486882 0.79 TTBK1 (0.38) TTBK1CHUKKMT2AATM
SCHEMBL4520127 0.79 TTBK1 (0.38) TTBK1CHUKKMT2AATM
SCHEMBL8972795 0.79 TTBK1 (0.38) TNIKTTBK1CHUKKMT2A
SCHEMBL17039215 0.75 GRM5 (0.54) GRM5
SCHEMBL700507 0.75 HTT (0.46) GRM5TNIKKMT2AATM
SCHEMBL16673635 0.75 P4HA1 (0.46) GRM5
SCHEMBL4521359 0.73 MCHR1 (0.42) TNIKCHUK
SCHEMBL12750896 0.72 GRM5 (0.50) GRM5TNIKTTBK1CHUKKMT2A

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 GRM5 1297/4885TNIK 1727/4885TTBK1 2484/4885

“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.