SCHEMBL738372

SCHEMBL738372

O=C(c1ccccc1)c1ccc(C#C[Au])cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
SRD5A2 P31213 1/20 0.44
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
RAB9A P51151 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
CYP3A4 P08684 1/20 0.39
GLA P06280 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 3/20 0.39
HPGD P15428 2/20 0.39
CA12 O43570 1/20 0.38

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
SCHEMBL1637052 0.86 ATM (0.49) ALDH1A1SRD5A2TDP1L3MBTL1ATM
SCHEMBL737242 0.86 MAPT (0.44) ALDH1A1TDP1L3MBTL1RAB9ALMNA
SCHEMBL1637166 0.82 SMN1; SMN2 (0.42) ALDH1A1TDP1L3MBTL1ATMLMNA
SCHEMBL738589 0.80 CYP3A4 (0.55) ALDH1A1TDP1RAB9AMEN1KMT2A
SCHEMBL18117528 0.78 ALDH1A1 (0.59) ALDH1A1SRD5A2TDP1L3MBTL1ATM
SCHEMBL29239889 0.78 ALDH1A1 (0.67) ALDH1A1SRD5A2TDP1L3MBTL1ATM
SCHEMBL1635665 0.78 AKR1C3 (0.43) ALDH1A1TDP1ATMRAB9AMEN1
SCHEMBL736672 0.78 CYP1A2 (0.48) ALDH1A1TDP1MAPTCYP3A4CA12
SCHEMBL1744898 0.77 ALDH1A1 (0.64) ALDH1A1SRD5A2TDP1L3MBTL1ATM
SCHEMBL738136 0.76 CYP3A4 (0.44) TDP1MAPTCYP3A4CA12CA1

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 ALDH1A1 754/4885SRD5A2 3946/4885TDP1 4435/4885

“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.