SCHEMBL738401

SCHEMBL738401

Fc1ccc(C#C[Au])c(F)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.34
PTPRC P08575 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
PTPN9 P43378 1/20 0.34
DUSP3 P51452 1/20 0.34
PTPN11 Q06124 1/20 0.34
PTPN22 Q9Y2R2 1/20 0.34
MME P08473 3/20 0.33
ECE1 P42892 3/20 0.33
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
NFE2L2 Q16236 1/20 0.32
GRM5 P41594 1/20 0.32
NR3C2 P08235 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
SCHEMBL740327 0.77 CYP3A4 (0.39) CYP3A4TDP1ESR1ESR2
SCHEMBL738136 0.76 CYP3A4 (0.44) CYP3A4TDP1ESR1ESR2FFAR1
SCHEMBL3245685 0.72 ALDH1A1 (0.46) TDP1PTGDR2PTPRCPTPN2PTPN1
SCHEMBL738589 0.69 CYP3A4 (0.55) CYP3A4TDP1ESR1ESR2GRM5
SCHEMBL739157 0.68 TDP1 (0.39) CYP3A4TDP1ESR1ESR2
SCHEMBL10874458 0.68 CYP3A4 (0.67) CYP3A4TDP1ESR1ESR2NFE2L2
SCHEMBL2543676 0.68 CYP3A4 (0.67) CYP3A4TDP1ESR1ESR2NFE2L2
SCHEMBL18702923 0.68 CYP3A4 (0.67) CYP3A4TDP1ESR1ESR2NFE2L2
SCHEMBL738547 0.67 TDP1 (0.41) CYP3A4TDP1ESR1ESR2GRM5
SCHEMBL4746682 0.67 ALDH1A1 (0.41) TDP1PTGDR2PTPRCPTPN2PTPN1

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 CYP3A4 1880/4885TDP1 4435/4885PTGDR2 3704/4885

“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.