SCHEMBL1635696

SCHEMBL1635696

O=C(c1cccc(C#C[Au][PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1)N(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
ACACB O00763 1/20 0.37
NR3C2 P08235 2/20 0.35
ALDH1A1 P00352 4/20 0.34
NPSR1 Q6W5P4 3/20 0.34
HSP90AA1 P07900 2/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
S1PR2 O95136 1/20 0.34
OPRK1 P41145 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 2/20 0.32
MITF O75030 1/20 0.32
ALOX5 P09917 1/20 0.32
EPHX2 P34913 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL1636314 0.83 HPGD (0.50) ACACBALDH1A1HSP90AA1MAPTOPRK1
SCHEMBL1637054 0.83 ATM (0.47) ALDH1A1MAPTSMN1; SMN2KMT2AL3MBTL1
SCHEMBL1636983 0.82 ACACB (0.41) ACACBALDH1A1NPSR1HSP90AA1MAPT
SCHEMBL1637039 0.81 GRM5 (0.34) ALDH1A1NPSR1HSP90AA1MAPTHTT
SCHEMBL1636987 0.78 TTR (0.39) ALDH1A1NPSR1HSP90AA1MAPTHTT
SCHEMBL1637626 0.74 ESR1 (0.44) ESR1ESR2ACACBNR3C2ALDH1A1
SCHEMBL738373 0.73 ALDH1A1 (0.44) ALDH1A1MAPTSMN1; SMN2KMT2AL3MBTL1
SCHEMBL9001691 0.72 ESR1 (0.54) ESR1ESR2NR3C2ALDH1A1NPSR1
SCHEMBL738590 0.72 APP (0.46) ALDH1A1NPSR1MAPTSMN1; SMN2KMT2A
SCHEMBL1635695 0.71 ALDH1A1 (0.38) ESR1ESR2ACACBNR3C2ALDH1A1

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-2042506-B1 SUBSTITUTED PHENYLETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX UBE INDUSTRIES (JP) 2012-12-19 EP disclosed
US-7932398-B2 Substituted phenylethynylgold-nitrogen-containing heterocyclic carbene complex UBE INDUSTRIES, LTD. (JP) 2011-04-26 US disclosed
US-20090234130-A1 SUBSTITUTED PHENYLETHYNYLGOLD-NITROGEN-CONTAINING HETEROCYCLIC CARBENE COMPLEX UBE INDUSTRIES, LTD. (JP) 2009-09-17 US disclosed
EP-2042506-A1 SUBSTITUTED PHENYLETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX Ube Industries, Ltd. (JP) 2009-04-01 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-20090234130-A1 SUBSTITUTED PHENYLETHYNYLGOLD-NITROGEN-CONTAINING HETEROCYCLIC CARBENE COMPLEX CCRL2, CCNL2, ATXN2L ESR1 3306/4885ESR2 3525/4885ACACB 1251/4885

“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.