SCHEMBL4478118

SCHEMBL4478118

CC1/C=C/CCCCCCCCCCC(=O)OCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ ATM Q13315 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ FKBP4 Q02790 3/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TSHR P16473 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ SHH Q15465 2/20 0.31

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
SCHEMBL15616246 1.00 CA1 (0.42) CA1CA9ATMCYP2C19CYP2D6
SCHEMBL15616247 1.00 CA1 (0.42) CA1CA9ATMCYP2C19CYP2D6
SCHEMBL15616240 1.00 CA1 (0.42) CA1CA9ATMCYP2C19CYP2D6
SCHEMBL15616242 1.00 CA1 (0.42) CA1CA9ATMCYP2C19CYP2D6
SCHEMBL15616207 1.00 CA1 (0.42) CA1CA9ATMCYP2C19CYP2D6
SCHEMBL15616241 0.83 CYP2C19 (0.41) CA1CA9ATMCYP2C19CYP2D6
SCHEMBL15616245 0.83 CYP2C19 (0.41) CA1CA9ATMCYP2C19CYP2D6
SCHEMBL15577084 0.83 CYP2C19 (0.41) CA1CA9ATMCYP2C19CYP2D6
SCHEMBL30743830 0.83 CYP2C19 (0.41) CA1CA9ATMCYP2C19CYP2D6
SCHEMBL15577083 0.83 CYP2C19 (0.41) CA1CA9ATMCYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5831101-A 14-methyl-hexadecenolide and 14-methyl-hexadecanolide QUEST INTERNATIONAL B.V. (NL) 1998-11-03 — — US claimed
EP-0841333-A1 14-Methyl-hexadecenolide and 14-methyl-hexadecanolide QUEST INTERNATIONAL B.V. (NL) 1998-05-13 — — EP claimed
JP-10204078-A — — None — — JP disclosed
EP-2781515-B1 13-Methyl-9-cyclopentadecen-15-olide KAO CORP (JP) 2016-02-24 — — EP disclosed
EP-1741706-B1 11-METHYL-13-TRIDECANOLIDE, 12-METHYL-14-TETRADECANOLIDE AND 13-METHYL-15-PENTADECANOLIDE, PERFUME COMPOSITIONS CONTAINING THE SAME, AND PROCESS FOR THE PRODUCTION OF THE COMPOUNDS SODA AROMATIC COMPANY LTD (JP) 2014-01-22 — — EP disclosed
US-7569535-B2 11-methyl-13-tridecanolide, 12-methyl-14-tetradecanolide and 13-methyl-15-pentadecanolide, perfume compositions containing the same, and process for production of compounds including the same SODA AROMATIC CO., LTD. (JP) 2009-08-04 — — US disclosed
US-20080020963-A1 11-methyl-13-tridecanolide (2-oxo-12-methyl-1-oxacyclotetradecane); perfumes with distinctive fragrance characteristics; musk excellent in persistency but also fragrance characteristics like nitro musks SODA AROMATIC CO., LTD., A CORPORATION OF JAPAN 2008-01-24 — — US disclosed
EP-1741706-A1 11-METHYL-13-TRIDECANOLIDE, 12-METHYL-14-TETRADECA- NOLIDE AND 13-METHYL-15-PENTADECANOLIDE, PERFUME COMPOSITIONS CONTAINING THE SAME, AND PROCESS FOR THE PRODUCTION OF COMPOUNDS INCLUDING THE SAME SODA AROMATIC COMPANY, LIMITED (JP) 2007-01-10 — — EP disclosed
US-5831101-A 14-methyl-hexadecenolide and 14-methyl-hexadecanolide QUEST INTERNATIONAL B.V. (NL) 1998-11-03 — — US disclosed
US-5831101-A 14-methyl-hexadecenolide and 14-methyl-hexadecanolide QUEST INTERNATIONAL B.V. (NL) 1998-11-03 — — US disclosed
JP-H10204078-A 14-METHYL-HEXADECENOLIDE AND 14-METHYL-HEXADECANOLIDE QUEST INTERNATL BV 1998-08-04 — — JP disclosed
EP-0841333-A1 14-Methyl-hexadecenolide and 14-methyl-hexadecanolide QUEST INTERNATIONAL B.V. (NL) 1998-05-13 — — EP disclosed
EP-0841333-A1 14-Methyl-hexadecenolide and 14-methyl-hexadecanolide QUEST INTERNATIONAL B.V. (NL) 1998-05-13 — — 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-20080020963-A1 11-methyl-13-tridecanolide (2-oxo-12-methyl-1-oxacyclotetradecane); perfumes with distinctive fragrance characteristics; musk excellent in persistency but also fragrance characteristics like nitro musks METTL14, TNK1, MDK CA1 3749/4885CA9 2632/4885ATM 2498/4885

“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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