SCHEMBL738208

SCHEMBL738208

CCCCc1cnc2c(C#C[Au])ccc(F)c2c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
THPO P40225 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
KMT2A Q03164 1/20 0.30
HIF1A Q16665 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL739799 0.82
SCHEMBL738209 0.77
SCHEMBL5571807 0.77 NFKB1 (0.34) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL738966 0.77 NFKB1 (0.34) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL737012 0.75 LYN (0.34) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL738445 0.74 PDE10A (0.31)
SCHEMBL739711 0.74 KDM4E (0.43) KDM4EMEN1ALDH1A1LMNACYP3A4
SCHEMBL740066 0.70 NPC1 (0.40) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL739894 0.70 TDP1 (0.33) CYP3A4TDP1L3MBTL1
SCHEMBL740327 0.69 CYP3A4 (0.39) CYP3A4TDP1

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 KDM4E 1868/4885MEN1 3642/4885ALDH1A1 754/4885

“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.