Dodecanoate

Dodecanoate

SCHEMBL1982507

CCCCCCCCCCCC(=O)[O-].NCCS(=O)(=O)[O-].[Na+].[Na+]

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Dodecanoate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 1/20 0.52
FABP3 P05413 7/20 0.50
NFKB1 P19838 1/20 0.45
CES2 O00748 3/20 0.44
CES1 P23141 3/20 0.44
GPR84 Q9NQS5 1/20 0.44
GMNN O75496 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
THPO P40225 1/20 0.42
HBB P68871 1/20 0.42
PMP22 Q01453 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
Dodecanoate SCHEMBL1987493 0.97 FABP3 (0.53) CA1FABP3NFKB1CES2CES1
Decanoic Acid SCHEMBL28321982 0.88 CA1 (0.57) CA1FABP3NFKB1CES2CES1
Myristic Acid SCHEMBL10384943 0.88 CA1 (0.57) CA1FABP3NFKB1CES2CES1
Dodecanoate SCHEMBL1982505 0.87 CA1 (0.52) CA1FABP3NFKB1CES2CES1
Dodecanoate SCHEMBL30489713 0.87 GPR84 (0.57) FABP3GPR84GMNNALDH1A1LMNA
Myristic Acid SCHEMBL31473069 0.87 GPR84 (0.57) FABP3GPR84GMNNALDH1A1LMNA
Dodecanoate SCHEMBL138674 0.84 CA1 (0.67) CA1FABP3NFKB1CES2CES1
Myristic Acid SCHEMBL4230929 0.84 CA1 (0.67) CA1FABP3NFKB1CES2CES1
Palmitic Acid SCHEMBL8511539 0.84 CA1 (0.67) CA1FABP3NFKB1CES2CES1
Dodecanoate SCHEMBL30496624 0.83 GPR84 (0.57) FABP3GPR84GMNNALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190099342-A1 COOLING PRODUCT SYMRISE AG (DE) 2019-04-04 US claimed
WO-2026087745-A1 AN ANTIOXIDANT COMPOSITION COMPRISING A CINNAMIC ACID DERIVATIVE BRAIN Biotech AG (DE) 2026-04-30 WO disclosed
EP-4732825-A1 AN ANTIOXIDANT COMPOSITION COMPRISING A CINNAMIC ACID DERIVATIVE BRAIN Biotech AG (DE) 2026-04-29 EP disclosed
US-20260096978-A1 A METHOD FOR PREVENTING, MITIGATING AND/OR TREATING PTGS2-INDUCED SKIN DISORDERS AND RELATED DYSFUNCTIONS SYMRISE AG (DE) 2026-04-09 US disclosed
EP-4025675-B1 A PERFUME OIL MIXTURE SYMRISE AG (DE) 2026-03-18 EP disclosed
US-20260047994-A1 AN ACTIVE COMPOSITION COMPRISING RETINOL SYMRISE AG (DE) 2026-02-19 US disclosed
US-20260041094-A1 Compositions Comprising an Antimicrobial Boosting Agent SYMRISE AG (DE) 2026-02-12 US disclosed
EP-4687810-A1 PREPARATIONS COMPRISING HYDROXY PINACOLONE RETINOATE Symrise AG (DE) 2026-02-11 EP disclosed
EP-4110276-B1 COMPOSITIONS COMPRISING ALKANEDIOLS SYMRISE AG (DE) 2026-01-28 EP disclosed
US-12534685-B2 Fragrance composition SYMRISE AG (DE) 2026-01-27 US disclosed
US-9732071-B2 Compounds useful as modulators of TRPM8 SENOMYX, INC. (US) 2017-08-15 US disclosed
US-20170096418-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED 2017-04-06 US disclosed
US-20170087199-A1 COMPOSITIONS FOR DELIVERING A COOLING SENSATION SENOMYX INC (US) 2017-03-30 US disclosed
US-20160376263-A1 BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF SENOMYX INC (US) 2016-12-29 US disclosed
US-20130202543-A1 USE OF POLYOLS FOR ENHANCING THE COOLING EFFECT OF A COOLING SUBSTANCE AND COOLING MIXTURES HAVING AN ENHANCED COOLING EFFECT SYMRISE AG (DE) 2013-08-08 US disclosed
EP-2579950-A2 USE OF POLYOLS FOR ENHANCING THE COOLING EFFECT OF A COOLING SUBSTANCE AND COOLING MIXTURES HAVING AN ENHANCED COOLING EFFECT Symrise AG (DE) 2013-04-17 EP disclosed
EP-2337544-A2 USE OF MATRIX METALLOPROTEINASE INHIBITORS IN SKIN CARE Living Proof, Inc. (US) 2011-06-29 EP disclosed
WO-2010149798-A2 USE OF POLYOLS FOR ENHANCING THE COOLING EFFECT OF A COOLING SUBSTANCE AND COOLING MIXTURES HAVING AN ENHANCED COOLING EFFECT SYMRISE AG (DE) 2010-12-29 WO disclosed
US-20090068255-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS IN SKIN CARE LIVING PROOF, INC. 2009-03-12 US disclosed
WO-2008134712-A2 USE OF MATRIX METALLOPROTEINASE INHIBITORS IN SKIN CARE LIVING PROOF, INC. (US) 2008-11-06 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 (10 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-20190099342-A1 COOLING PRODUCT TRPA1, TRPV2, NISCH CA1 2904/4885FABP3 1536/4885NFKB1 2462/4885
US-20090068255-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS IN SKIN CARE MMP1, MMP9, MMP17 CA1 4573/4885FABP3 2399/4885NFKB1 1060/4885
US-12534685-B2 Fragrance composition NCLN, HCN2, TRPA1 CA1 3646/4885FABP3 3929/4885NFKB1 3043/4885
US-20160376263-A1 BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF TAS2R5, TAS1R1, TAS2R1 CA1 3404/4885FABP3 1057/4885NFKB1 3249/4885
US-20260041094-A1 Compositions Comprising an Antimicrobial Boosting Agent TLR7, MYC, ERG28 CA1 4875/4885FABP3 4504/4885NFKB1 663/4885
US-20260047994-A1 AN ACTIVE COMPOSITION COMPRISING RETINOL RBP4, LRAT, RARB CA1 1939/4885FABP3 624/4885NFKB1 2864/4885
US-20170087199-A1 COMPOSITIONS FOR DELIVERING A COOLING SENSATION TRPA1, PDE6G, PDE6D CA1 2228/4885FABP3 1666/4885NFKB1 993/4885
US-20130202543-A1 USE OF POLYOLS FOR ENHANCING THE COOLING EFFECT OF A COOLING SUBSTANCE AND COOLING MIXTURES HAVING AN ENHANCED COOLING EFFECT CUTA, MCOLN2, MCOLN3 CA1 951/4885FABP3 1919/4885NFKB1 3664/4885
US-20260096978-A1 A METHOD FOR PREVENTING, MITIGATING AND/OR TREATING PTGS2-INDUCED SKIN DISORDERS AND RELATED DYSFUNCTIONS PTGS2, PTGES2, PTGS1 CA1 1298/4885FABP3 2632/4885NFKB1 1783/4885
US-20170096418-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 CA1 934/4885FABP3 1236/4885NFKB1 2375/4885

“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.