SCHEMBL737968

SCHEMBL737968

CC(=O)c1ccc(C#CC(C)(C)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.52
▸ LMNA P02545 2/20 0.52
▸ MAPT P10636 6/20 0.50
▸ HTT P42858 2/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ TSHR P16473 1/20 0.48
▸ RARB P10826 1/20 0.44
▸ RARG P13631 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ ACACB O00763 1/20 0.43
▸ HAO1 Q9UJM8 1/20 0.43
▸ ASIC3 Q9UHC3 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HSD17B1 P14061 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MGLL Q99685 1/20 0.39

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
SCHEMBL13597752 0.86 RARB (0.46) L3MBTL1LMNAMAPTHTTSMN1; SMN2
SCHEMBL22442356 0.85 RARB (0.62) L3MBTL1LMNAMAPTHTTSMN1; SMN2
SCHEMBL12391039 0.83 ASIC3 (0.50) L3MBTL1LMNAMAPTHTTSMN1; SMN2
SCHEMBL28610694 0.81 ACACB (0.43) L3MBTL1LMNAMAPTSMN1; SMN2RARB
SCHEMBL7873411 0.80 MAPT (0.53) L3MBTL1LMNAMAPTHTTSMN1; SMN2
SCHEMBL739253 0.80 HTT (0.52) L3MBTL1LMNAMAPTHTTSMN1; SMN2
SCHEMBL22031725 0.80 LMNA (0.59) L3MBTL1LMNAMAPTHTTSMN1; SMN2
SCHEMBL1637624 0.79 ACACB (0.46) L3MBTL1LMNAMAPTHTTSMN1; SMN2
SCHEMBL9805522 0.79 LMNA (0.51) L3MBTL1LMNAMAPTHTTSMN1; SMN2
SCHEMBL10411946 0.77 ACACB (0.49) L3MBTL1LMNAMAPTSMN1; SMN2RARB

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
CN-108586397-B Method for preparing tetronic acid by cyclizing enolization of propargyl alcohol and carbon dioxide 四川大学 2021-07-02 — — CN disclosed
EP-1847545-B1 SUBSTITUTED ETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME UBE INDUSTRIES (JP) 2013-03-06 — — EP disclosed
US-8137821-B2 Substituted ethynyl gold-nitrogen containing heterocyclic carbene complex and organic electroluminescent device using the same UBE INDUSTRIES, LTD. (JP) 2012-03-20 — — US disclosed
US-20090091243-A1 Substituted Ethynyl Gold-Nitrogen Containing Heterocyclic Carbene Complex and Organic Electroluminescent Device Using the Same UBE INDUSTRIES, LTD. (JP) 2009-04-09 — — US disclosed
EP-1847545-A1 SUBSTITUTED ETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME Ube Industries, Ltd. (JP) 2007-10-24 — — EP disclosed
US-4322432-A Cyclopropanecarboxylic acid alkynyl esters, processes for producing them, and their use as pesticides CIBA-GEIGY CORPORATION (US) 1982-03-30 — — US 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-20090091243-A1 Substituted Ethynyl Gold-Nitrogen Containing Heterocyclic Carbene Complex and Organic Electroluminescent Device Using the Same ACSL3, ATXN2L, ACSL1 L3MBTL1 1839/4885LMNA 2067/4885MAPT 4507/4885

“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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