SCHEMBL1635665

SCHEMBL1635665

O=C(c1ccccc1)c1ccccc1C#C[Au].c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.43
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 1/20 0.36
ATM Q13315 2/20 0.36
CDC25B P30305 1/20 0.36
HSP90AA1 P07900 1/20 0.36
PKM P14618 1/20 0.36
CCR6 P51684 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TLR9 Q9NR96 1/20 0.36
KMT2A Q03164 2/20 0.35
NR4A1 P22736 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL738372 0.78 ALDH1A1 (0.45) GAAMAPTALDH1A1NPC1RAB9A
SCHEMBL1637052 0.75 ATM (0.49) MAPTALDH1A1TDP1CYP3A4ATM
SCHEMBL29855934 0.74 NPC1 (0.66) AKR1C3GAAMAPTALDH1A1NPC1
SCHEMBL4444737 0.74 NPC1 (0.66) AKR1C3GAAMAPTALDH1A1NPC1
SCHEMBL27969723 0.72 AKR1C3 (0.53) AKR1C3GAAMAPTALDH1A1TDP1
SCHEMBL16796019 0.71 AKR1C3 (0.48) AKR1C3GAAMAPTALDH1A1NPC1
SCHEMBL1331831 0.71 AKR1C3 (0.57) AKR1C3GAAMAPTALDH1A1TDP1
SCHEMBL64069 0.71 AKR1C3 (0.57) AKR1C3GAAMAPTALDH1A1TDP1
SCHEMBL3644022 0.70 AKR1C3 (0.47) AKR1C3GAAMAPTALDH1A1NPC1
SCHEMBL11070653 0.70 MAPT (0.49) AKR1C3GAAMAPTALDH1A1NPC1

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 AKR1C3 556/4885GAA 3756/4885MAPT 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.