SCHEMBL4475730

SCHEMBL4475730

CC1CCCCCCCCCCCC(=O)OCC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.52
CA9 Q16790 2/20 0.52
KMT2A Q03164 1/20 0.47
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CYP2D6 P10635 2/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
FKBP4 Q02790 3/20 0.36
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 2/20 0.31
CASP1 P29466 1/20 0.31
CYP3A4 P08684 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 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
SCHEMBL4468608 1.00 CA1 (0.52) CA1CA9KMT2ACA2CA4
SCHEMBL4483850 1.00 CA1 (0.52) CA1CA9KMT2ACA2CA4
SCHEMBL17527732 1.00 CA1 (0.52) CA1CA9KMT2ACA2CA4
SCHEMBL4479651 1.00 CA1 (0.52) CA1CA9KMT2ACA2CA4
SCHEMBL8383416 0.98 CA1 (0.50) CA1CA9KMT2ACA2CA4
SCHEMBL12513179 0.98 CA1 (0.50) CA1CA9KMT2ACA2CA4
SCHEMBL8652102 0.96 CA1 (0.56) CA1CA9KMT2ACA2CA4
SCHEMBL1867958 0.94 CA1 (0.58) CA1CA9KMT2ACA2CA4
SCHEMBL24090327 0.92 CA1 (0.64) CA1CA9KMT2ACA2CA4
SCHEMBL7948565 0.92 CA1 (0.64) CA1CA9KMT2ACA2CA4

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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 claimed
CN-110819451-A Unsaturated lactones as odorants 西姆莱斯股份公司 2020-02-21 CN disclosed
EP-2895470-B1 UNSATURATED LACTONES AS FRAGRANTS SYMRISE AG (DE) 2020-02-12 EP disclosed
EP-2781515-B1 13-Methyl-9-cyclopentadecen-15-olide KAO CORP (JP) 2016-02-24 EP disclosed
US-9217123-B2 13-methyl-9-cyclopentadecen-15-olide KAO CORPORATION (JP) 2015-12-22 US disclosed
US-9217123-B2 13-methyl-9-cyclopentadecen-15-olide KAO CORPORATION (JP) 2015-12-22 US disclosed
EP-2895470-A1 UNSATURATED LACTONES AS ODORANTS Symrise AG (DE) 2015-07-22 EP disclosed
US-20140287971-A1 13-METHYL-9-CYCLOPENTADECEN-15-OLIDE KAO CORPORATION (JP) 2014-09-25 US disclosed
US-20140287971-A1 13-METHYL-9-CYCLOPENTADECEN-15-OLIDE KAO CORPORATION (JP) 2014-09-25 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
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-A4 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 LTD (JP) 2007-12-19 EP disclosed
CN-1976914-A 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 LTD (JP) 2007-06-06 CN disclosed
CN-1976914-A 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 LTD (JP) 2007-06-06 CN 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
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
WO-2005105773-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 CO., LTD. (JP) 2005-11-10 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 (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 2632/4885KMT2A 1797/4885

“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.