SCHEMBL5689294

SCHEMBL5689294

COCC(C)(C)CC=C(C)C

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.32
ALOX15 P16050 1/20 0.30

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
SCHEMBL26690341 0.80
SCHEMBL1698052 0.79 KMT2A (0.41) L3MBTL1MEN1ALDH1A1TSHRKMT2A
SCHEMBL7067117 0.78
SCHEMBL17653501 0.77 L3MBTL1 (0.35) L3MBTL1MEN1ALDH1A1TSHRKMT2A
SCHEMBL8652771 0.76 L3MBTL1 (0.37) L3MBTL1MEN1ALDH1A1TSHRKMT2A
SCHEMBL17106178 0.76 L3MBTL1 (0.41) L3MBTL1MEN1ALDH1A1TSHRKMT2A
SCHEMBL17111461 0.72 L3MBTL1 (0.38) L3MBTL1MEN1ALDH1A1TSHRKMT2A
SCHEMBL6083788 0.72 MEN1 (0.38) L3MBTL1MEN1ALDH1A1TSHRKMT2A
SCHEMBL7767599 0.71 L3MBTL1 (0.38) L3MBTL1MEN1ALDH1A1TSHRKMT2A
SCHEMBL8255176 0.70 L3MBTL1 (0.37) L3MBTL1MEN1ALDH1A1TSHRKMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4167934-A1 FRAGRANCE MIXTURES CONTAINING 1-(4,4-DIMETHYLCYCLOHEXEN-1-YL) ETHANON Symrise AG (DE) 2023-04-26 EP disclosed
US-11376198-B2 Powder containing crystals comprising ingredients enclosed therein SYMRISE AG (DE) 2022-07-05 US disclosed
WO-2021254628-A1 FRAGRANCE MIXTURES CONTAINING 1-(4,4-DIMETHYLCYCLOHEXEN-1-YL) ETHANON SYMRISE AG (DE) 2021-12-23 WO disclosed
US-11028034-B2 Method for producing rotundone-containing mixtures SYMRISE AG (DE) 2021-06-08 US disclosed
US-20200247740-A1 METHOD FOR PRODUCING ROTUNDONE-CONTAINING MIXTURES SYMRISE AG (DE) 2020-08-06 US disclosed
US-20200129385-A1 POWDER CONTAINING CRYSTALS COMPRISING INGREDIENTS ENCLOSED THEREIN SYMRISE AG (DE) 2020-04-30 US disclosed
EP-1648526-A1 CIS-3,3,5-TRIMETHYLCYCLOHEXYL ESTERS Symrise GmbH & Co. KG (DE) 2006-04-26 EP disclosed
WO-2005009492-A1 CIS-3,3,5-TRIMETHYLCYCLOHEXYL ESTERS SYMRISE GMBH & CO. KG (DE) 2005-02-03 WO disclosed
EP-0542964-A1 HYDROXY- OR OXO-SUBSTITUTED ALKYL CYCLOPENTENES. GIVAUDAN ROURE INT (CH) 1993-05-26 EP disclosed
WO-1992022518-A1 HYDROXY- OR OXO-SUBSTITUTED ALKYL CYCLOPENTENES GIVAUDAN-ROURE (INTERNATIONAL) SA (CH) 1992-12-23 WO 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 (2 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-11028034-B2 Method for producing rotundone-containing mixtures TAS2R60, TAS2R16, TAS2R40 L3MBTL1 4613/4885MEN1 332/4885ALDH1A1 1951/4885
US-20200247740-A1 METHOD FOR PRODUCING ROTUNDONE-CONTAINING MIXTURES TAS2R60, TAS2R16, TAS2R40 L3MBTL1 4613/4885MEN1 332/4885ALDH1A1 1951/4885

“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.