SCHEMBL4581630

SCHEMBL4581630

C=C1C2CCC(C)(OC)C1CCC2(C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
PGR P06401 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
SCHEMBL19922317 0.80
SCHEMBL22282808 0.80
SCHEMBL10937307 0.72 PTPN1 (0.34) ALDH1A1
SCHEMBL31502603 0.69 CYP19A1 (0.31)
SCHEMBL31502584 0.69 CYP19A1 (0.31)
SCHEMBL31502595 0.69 CYP19A1 (0.31)
SCHEMBL31233792 0.67 MITF (0.31)
SCHEMBL7782052 0.64 TRPA1 (0.33)
SCHEMBL7782988 0.64 TRPA1 (0.33)
SCHEMBL12858683 0.63 PTPN1 (0.40) ALDH1A1

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
JP-2003617-A None JP disclosed
US-20080081779-A1 Mixtures comprising alpha-ambrinol alkyl ethers and 2 alkoxy-9-methylene-2,6,6-trimethylbicyclo[3.3.1]nonanes as fragrances and flavourings SYMRISE GMBH & CO. KG (DE) 2008-04-03 US disclosed
US-20080081779-A1 Mixtures comprising alpha-ambrinol alkyl ethers and 2 alkoxy-9-methylene-2,6,6-trimethylbicyclo[3.3.1]nonanes as fragrances and flavourings SYMRISE GMBH & CO. KG (DE) 2008-04-03 US disclosed
US-20080081779-A1 Mixtures comprising alpha-ambrinol alkyl ethers and 2 alkoxy-9-methylene-2,6,6-trimethylbicyclo[3.3.1]nonanes as fragrances and flavourings SYMRISE GMBH & CO. KG (DE) 2008-04-03 US disclosed
EP-1905420-A1 Mixtures containing alpha-ambrinol alkyl ether and 2-alkoxy-9-methylene-2,6,6-trimethyl bicyclo[3.3.1]nonane as olfactory and aromatic substances Symrise GmbH & Co. KG (DE) 2008-04-02 EP disclosed
EP-1905420-A1 Mixtures containing alpha-ambrinol alkyl ether and 2-alkoxy-9-methylene-2,6,6-trimethyl bicyclo[3.3.1]nonane as olfactory and aromatic substances Symrise GmbH & Co. KG (DE) 2008-04-02 EP disclosed
EP-0330995-B1 Bicyclic ethers GIVAUDAN ROURE INT (CH) 1994-08-31 EP disclosed
US-5185472-A Mixtures of bicyclic ethers, fragrance compositions containing same and novel intermediate GIVAUDAN CORPORATION (US) 1993-02-09 US disclosed
US-5023232-A Mixtures of bicyclic ethers and fragrance compositions containing same GIVAUDAN CORPORATION (US) 1991-06-11 US disclosed
JP-H023617-A NOVEL PERFUME MIXTURE L GIVAUDAN & CIE SA 1990-01-09 JP disclosed
EP-0330995-A2 Bicyclic ethers GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1989-09-06 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-20080081779-A1 Mixtures comprising alpha-ambrinol alkyl ethers and 2 alkoxy-9-methylene-2,6,6-trimethylbicyclo[3.3.1]nonanes as fragrances and flavourings EBP, MEP1B, OR51E2 ALDH1A1 1171/4885CYP3A4 717/4885PGR 2101/4885

“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.