Sugi Predict

Sugi Predict / Compounds / SCHEMBL738438

SCHEMBL738438

SCHEMBL738438

[Au]C#Cc1ccc2ccc3cccc4ccc1c2c34.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ AHR P35869 1/20 0.38
▸ CYP3A4 P08684 3/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ HPGD P15428 4/20 0.36
▸ HSD17B10 Q99714 4/20 0.36
▸ THRB P10828 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ KMT2A Q03164 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ POLB P06746 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
SCHEMBL738547 0.81 TDP1 (0.41) CYP1A2CYP3A4TDP1ALDH1A1HSD17B10
SCHEMBL2036514 0.74 APP (0.44) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL739157 0.72 TDP1 (0.39) CYP1A2CYP3A4TDP1ALDH1A1HPGD
SCHEMBL740327 0.72 CYP3A4 (0.39) CYP3A4TDP1ESR1ESR2
SCHEMBL29556529 0.72 CYP1A2 (0.46) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL29948725 0.72 CYP1A2 (0.46) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL2381659 0.72 CYP1A2 (0.46) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL971382 0.72 CYP1A2 (0.46) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL28592799 0.71 CYP1A2 (0.48) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL23656385 0.70 CYP1A2 (0.41) CYP1A2ERBB2FYNMAOAACHE

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 1177/4885ERBB2 884/4885FYN 797/4885

“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.