SCHEMBL1637026

SCHEMBL1637026

CC(C)(O)C#Cc1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ ATM Q13315 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ HAO1 Q9UJM8 1/20 0.45
▸ PBRM1 Q86U86 1/20 0.45
▸ PDK1 Q15118 1/20 0.45
▸ PDK2 Q15119 1/20 0.45
▸ PDK3 Q15120 1/20 0.45
▸ PDK4 Q16654 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ VNN1 O95497 1/20 0.43
▸ LMNA P02545 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ PTGS1 P23219 2/20 0.43
▸ CXCR1 P25024 2/20 0.43
▸ CXCR2 P25025 2/20 0.43
▸ PTGS2 P35354 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ MAPK1 P28482 2/20 0.43

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
SCHEMBL1637191 0.88 ABCC9 (0.44) L3MBTL1ATMTDP1HAO1ALDH1A1
SCHEMBL3929847 0.87 HAO1 (0.50) HAO1LMNAHPGDHSD17B10CYP1A2
SCHEMBL739253 0.85 HTT (0.52) L3MBTL1ATMTDP1HAO1PDK1
SCHEMBL1637624 0.84 ACACB (0.46) L3MBTL1TDP1HAO1ALDH1A1LMNA
SCHEMBL3121665 0.83 GRM5 (0.50) HAO1LMNA
SCHEMBL14338517 0.81 ATM (0.65) L3MBTL1ATMTDP1PBRM1ALDH1A1
SCHEMBL3942298 0.80 LMNA (0.47) L3MBTL1HAO1ALDH1A1LMNAMAPT
Bicarbonate SCHEMBL28540490 0.79 MAPT (0.51) L3MBTL1HAO1LMNAMAPTSMN1; SMN2
SCHEMBL17450481 0.79 ATM (0.61) L3MBTL1ATMTDP1PBRM1ALDH1A1
SCHEMBL11443850 0.79 HAO1 (0.46) L3MBTL1HAO1LMNAMAPTCYP2D6

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 L3MBTL1 1556/4885ATM 2810/4885TDP1 4727/4885

“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.

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