SCHEMBL5049155

SCHEMBL5049155

C/C=C(\C)C(=O)OCC(C)(C)OC(C)C1CCCC(C)(C)C1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAPT P10636 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
SCHEMBL5413843 1.00 MAPT (0.35) MAPT
SCHEMBL5049182 0.83
SCHEMBL25324039 0.83 TSHR (0.33)
SCHEMBL5408250 0.83 TSHR (0.33)
SCHEMBL313294 0.82 ADRB2 (0.32)
SCHEMBL9657891 0.82
SCHEMBL16995921 0.82
SCHEMBL23483313 0.82
SCHEMBL238099 0.82
SCHEMBL9656868 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196053-B2 Odorant compounds FIRMENICH SA (CH) 2007-03-27 US claimed
EP-1459735-B1 Odorant compounds FIRMENICH & CIE (CH) 2006-06-07 EP claimed
US-20040186043-A1 Perfuming ingredient is (1S,1'R)-2-[1-(3',3'-dimethyl-1'-cyclohexyl)ethoxy]-2-methylpropyl 2-propenoate FIRMENICH SA (CH) 2004-09-23 US claimed
EP-1459735-A1 Odorant compounds FIRMENICH SA (CH) 2004-09-22 EP claimed
US-7390779-B2 Cycloalkanecarboxylic acid derivatives as fragants with musk characteristics GIVAUDAN SA (CH) 2008-06-24 US disclosed
EP-1392640-B1 CYCLOALKANECARBOXYLIC ACID DERIVATIVES AS FRAGRANTS WITH MUSK CHARACTERISTICS GIVAUDAN SA (CH) 2007-12-19 EP disclosed
US-7196053-B2 Odorant compounds FIRMENICH SA (CH) 2007-03-27 US disclosed
EP-1459735-B1 Odorant compounds FIRMENICH & CIE (CH) 2006-06-07 EP disclosed
US-20040234568-A1 Cycloalkanecarboxylic acid derivatives as fragants with musk characteristics GIVAUDAN SA (CH) 2004-11-25 US disclosed
US-20040186043-A1 Perfuming ingredient is (1S,1'R)-2-[1-(3',3'-dimethyl-1'-cyclohexyl)ethoxy]-2-methylpropyl 2-propenoate FIRMENICH SA (CH) 2004-09-23 US disclosed
EP-1459735-A1 Odorant compounds FIRMENICH SA (CH) 2004-09-22 EP disclosed
EP-1392640-A1 CYCLOALKANECARBOXYLIC ACID DERIVATIVES AS FRAGRANTS WITH MUSK CHARACTERISTICS Givaudan SA (CH) 2004-03-03 EP disclosed
WO-2002096852-A1 CYCLOALKANECARBOXYLIC ACID DERIVATIVES AS FRAGRANTS WITH MUSK CHARACTERISTICS GIVAUDAN SA (CH) 2002-12-05 WO disclosed
EP-1262474-A1 Cycloalkanecarboxylic acid derivatives as fragrants with musk characteristics Givaudan SA (CH) 2002-12-04 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 (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-20040234568-A1 Cycloalkanecarboxylic acid derivatives as fragants with musk characteristics FASN, ACMSD, CMPK1 MAPT 2864/4885
US-20040186043-A1 Perfuming ingredient is (1S,1'R)-2-[1-(3',3'-dimethyl-1'-cyclohexyl)ethoxy]-2-methylpropyl 2-propenoate CYP1A1, CBR1, CYP1B1 MAPT 4223/4885

“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.