SCHEMBL1637039

SCHEMBL1637039

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
HSP90AA1 P07900 2/20 0.33
HTT P42858 2/20 0.33
S1PR2 O95136 1/20 0.33
OPRK1 P41145 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPK1 P28482 2/20 0.31
LMNA P02545 1/20 0.31
XBP1 P17861 1/20 0.31
RAB9A P51151 1/20 0.31
CYP3A4 P08684 1/20 0.31
PTPN11 Q06124 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
MITF O75030 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
SCHEMBL1636987 0.86 TTR (0.39) ALDH1A1MAPTNPSR1HSP90AA1HTT
SCHEMBL1636983 0.85 ACACB (0.41) ALDH1A1MAPTNPSR1HSP90AA1HTT
SCHEMBL1637054 0.84 ATM (0.47) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL1636091 0.82 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL1635696 0.81 ESR1 (0.37) ALDH1A1MAPTNPSR1HSP90AA1HTT
SCHEMBL1636314 0.79 HPGD (0.50) ALDH1A1MAPTHSP90AA1OPRK1KMT2A
SCHEMBL738373 0.74 ALDH1A1 (0.44) GRM5ALDH1A1MAPTMEN1KMT2A
SCHEMBL738590 0.73 APP (0.46) GRM5ALDH1A1MAPTNPSR1MEN1
SCHEMBL737243 0.72 MAPT (0.43) GRM5ALDH1A1MAPTHTTLMNA
SCHEMBL1637036 0.70 ALDH1A1 (0.36) GRM5ALDH1A1MAPTNPSR1HSP90AA1

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 GRM5 2705/4885ALDH1A1 3101/4885MAPT 4610/4885

“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.