SCHEMBL1637624

SCHEMBL1637624

CC(=O)c1cccc(C#CC(C)(C)O)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.46
▸ LMNA P02545 4/20 0.45
▸ HAO1 Q9UJM8 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.40
▸ HTT P42858 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ ASIC3 Q9UHC3 1/20 0.38
▸ MAP3K14 Q99558 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ MAPT P10636 1/20 0.37

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
SCHEMBL3929847 0.87 HAO1 (0.50) LMNAHAO1HTTKMT2AHPGD
SCHEMBL3121665 0.85 GRM5 (0.50) LMNAHAO1TSHRMAP3K14
SCHEMBL1637026 0.84 L3MBTL1 (0.52) LMNAHAO1L3MBTL1ALDH1A1HPGD
SCHEMBL8615592 0.84 ACACB (0.57) ACACBLMNAALDH1A1HTTMEN1
SCHEMBL3942298 0.83 LMNA (0.47) LMNAHAO1L3MBTL1ALDH1A1TSHR
SCHEMBL11443850 0.82 HAO1 (0.46) LMNAHAO1L3MBTL1HTTTSHR
SCHEMBL10411220 0.80 ACACB (0.51) ACACBLMNAALDH1A1HTTMEN1
SCHEMBL845317 0.80 GRM5 (0.52) L3MBTL1ALDH1A1MEN1KMT2AHPGD
SCHEMBL1637191 0.79 ABCC9 (0.44) LMNAHAO1L3MBTL1ALDH1A1HTT
SCHEMBL12724811 0.79 ACACB (0.50) ACACBLMNAHAO1ALDH1A1HTT

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 6 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-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
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 ACACB 1251/4885LMNA 2002/4885HAO1 1505/4885

“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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