SCHEMBL736673

SCHEMBL736673

C(#Cc1ccc(-c2ccccc2)cc1)[Au][PH](c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.47
CYP1A1 P04798 1/20 0.47
CYP1B1 Q16678 1/20 0.47
KCNH2 Q12809 1/20 0.40
GRM5 P41594 2/20 0.35
APP P05067 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
THPO P40225 1/20 0.31
MAPK1 P28482 1/20 0.31
ACACB O00763 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MMP3 P08254 1/20 0.31
BCL2L1 Q07817 1/20 0.31
BLM P54132 1/20 0.31

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
SCHEMBL738590 0.88 APP (0.46) CYP1A2CYP1A1CYP1B1KCNH2GRM5
SCHEMBL738137 0.84 FFAR1 (0.33) CYP1A2GRM5APPMAPTCYP3A4
SCHEMBL736791 0.80 APP (0.43) KCNH2APPTDP1
SCHEMBL737243 0.77 MAPT (0.43) GRM5ALDH1A1MAPTACACBTAAR1
SCHEMBL739039 0.77 CASP3 (0.47) CYP1A2ALDH1A1MAPTCYP2C19MAPK1
SCHEMBL737971 0.74 GRM5 (0.38) GRM5
SCHEMBL738384 0.73 CYP2A6 (0.47) CYP1A2GRM5CYP3A4CYP2C9CYP2C19
SCHEMBL5886608 0.70 APP (0.71) CYP1A2CYP1A1CYP1B1KCNH2GRM5
Methane SCHEMBL28739770 0.68 APP (0.67) CYP1A2CYP1A1CYP1B1KCNH2GRM5
SCHEMBL5949303 0.67 APP (0.75) CYP1A2CYP1A1CYP1B1KCNH2GRM5

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 CYP1A2 1177/4885CYP1A1 732/4885CYP1B1 1890/4885

“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.