SCHEMBL4470155

SCHEMBL4470155

CC(CCO)CCCCCCCCCCCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 6/20 0.54
FFAR1 O14842 3/20 0.54
FFAR4 Q5NUL3 3/20 0.54
TSHR P16473 5/20 0.50
LMNA P02545 1/20 0.50
NFKB1 P19838 1/20 0.50
PMP22 Q01453 1/20 0.50
ALDH1A1 P00352 3/20 0.48
GSTK1 Q9Y2Q3 1/20 0.47
PPARG P37231 6/20 0.46
PPARD Q03181 6/20 0.46
PPARA Q07869 6/20 0.46
HDAC11 Q96DB2 5/20 0.46
TLR2 O60603 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
FABP4 P15090 2/20 0.46
PTPN1 P18031 2/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL4476387 1.00 GPR84 (0.54) GPR84FFAR1FFAR4TSHRLMNA
SCHEMBL4478217 1.00 GPR84 (0.54) GPR84FFAR1FFAR4TSHRLMNA
Sebacic Acid SCHEMBL25336327 0.96 GPR84 (0.58) GPR84FFAR1FFAR4TSHRLMNA
Pimelic Acid SCHEMBL30288567 0.96 GPR84 (0.58) GPR84FFAR1FFAR4TSHRLMNA
Azelaic Acid SCHEMBL28859389 0.96 GPR84 (0.58) GPR84FFAR1FFAR4TSHRLMNA
Adipic Acid SCHEMBL5665994 0.94 GPR84 (0.54) GPR84FFAR1FFAR4TSHRLMNA
Adipic Acid SCHEMBL6131152 0.94 GPR84 (0.54) GPR84FFAR1FFAR4TSHRLMNA
Adipic Acid SCHEMBL31157624 0.94 GPR84 (0.54) GPR84FFAR1FFAR4TSHRLMNA
SCHEMBL8984604 0.92 GPR84 (0.67) GPR84FFAR1FFAR4TSHRLMNA
SCHEMBL8984358 0.92 GPR84 (0.67) GPR84FFAR1FFAR4TSHRLMNA

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 6 patents. 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 disclosed
CN-1976914-B 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 2012-07-04 CN 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
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

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 GPR84 797/4885FFAR1 193/4885FFAR4 275/4885

“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.