SCHEMBL5140653

SCHEMBL5140653

CC(OC(C)(C)COC(=O)C1CCCC1)C1CCCC(C)(C)C1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL29262873 0.99 ADRB2 (0.36) ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL5045815 0.98 ADRB2 (0.34) ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL313294 0.96 ADRB2 (0.32) ADRB2ADRB1ADRB3
SCHEMBL5049088 0.87 POLB (0.31)
SCHEMBL2729756 0.86 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5049182 0.85
SCHEMBL23483313 0.84
SCHEMBL9656868 0.84
SCHEMBL16995921 0.84
SCHEMBL238099 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392640-B1 CYCLOALKANECARBOXYLIC ACID DERIVATIVES AS FRAGRANTS WITH MUSK CHARACTERISTICS GIVAUDAN SA (CH) 2007-12-19 EP claimed
US-20040234568-A1 Cycloalkanecarboxylic acid derivatives as fragants with musk characteristics GIVAUDAN SA (CH) 2004-11-25 US claimed
EP-1392640-A1 CYCLOALKANECARBOXYLIC ACID DERIVATIVES AS FRAGRANTS WITH MUSK CHARACTERISTICS Givaudan SA (CH) 2004-03-03 EP claimed
WO-2002096852-A1 CYCLOALKANECARBOXYLIC ACID DERIVATIVES AS FRAGRANTS WITH MUSK CHARACTERISTICS GIVAUDAN SA (CH) 2002-12-05 WO claimed
EP-1262474-A1 Cycloalkanecarboxylic acid derivatives as fragrants with musk characteristics Givaudan SA (CH) 2002-12-04 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-20040234568-A1 Cycloalkanecarboxylic acid derivatives as fragants with musk characteristics GIVAUDAN SA (CH) 2004-11-25 US 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 (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-20040234568-A1 Cycloalkanecarboxylic acid derivatives as fragants with musk characteristics FASN, ACMSD, CMPK1 ADRB2 1350/4885ADRB1 1260/4885ADRB3 863/4885

“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.