SCHEMBL1636091

SCHEMBL1636091

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 2/20 0.47
MAPK1 P28482 1/20 0.47
TSHR P16473 1/20 0.45
RAB9A P51151 3/20 0.44
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 2/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
HPGD P15428 2/20 0.38
GLA P06280 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 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
SCHEMBL1636088 0.86 MAPT (0.42) ALDH1A1MAPK1MAPTTDP1L3MBTL1
SCHEMBL1636983 0.85 ACACB (0.41) ALDH1A1RAB9ACYP1A2MAPTHPGD
SCHEMBL1637054 0.84 ATM (0.47) ALDH1A1CYP3A4MAPK1RAB9ACYP1A2
SCHEMBL1637039 0.82 GRM5 (0.34) ALDH1A1CYP3A4MAPK1RAB9AMAPT
SCHEMBL1926585 0.80 TSHR (0.60) ALDH1A1CYP3A4MAPK1TSHRRAB9A
SCHEMBL1636314 0.79 HPGD (0.50) ALDH1A1TSHRRAB9ACYP1A2MAPT
SCHEMBL1635696 0.79 ESR1 (0.37) ALDH1A1CYP3A4MAPK1TSHRMAPT
SCHEMBL1636987 0.79 TTR (0.39) ALDH1A1CYP1A2CYP2C9MAPTHPGD
SCHEMBL16720308 0.76 KDM4E (0.55) ALDH1A1CYP3A4MAPK1TSHRRAB9A
SCHEMBL10411912 0.76 ALDH1A1 (0.52) ALDH1A1CYP3A4MAPK1TSHRRAB9A

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 ALDH1A1 3101/4885CYP3A4 1936/4885MAPK1 2315/4885

“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.