Dodecanoate

Dodecanoate

SCHEMBL1982505

CCCCCCCCCCCC(=O)[O-].NCCS(=O)(=O)O.[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 10)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 1/20 0.52
FABP3 P05413 7/20 0.50
LMNA P02545 1/20 0.47
SLC6A6 P31641 1/20 0.47
CYP2C19 P33261 1/20 0.47
BLM P54132 1/20 0.47
NFKB1 P19838 1/20 0.45
CES2 O00748 3/20 0.44
CES1 P23141 3/20 0.44
GPR84 Q9NQS5 1/20 0.44

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 SCHEMBL1987490 0.97 FABP3 (0.53) CA1FABP3LMNASLC6A6CYP2C19
Dodecanoate SCHEMBL1982507 0.87 CA1 (0.52) CA1FABP3LMNANFKB1CES2
Taurine SCHEMBL15876000 0.85 EPHX2 (0.41) CA1FABP3LMNASLC6A6CYP2C19
Decanoic Acid SCHEMBL34465300 0.85 CA1 (0.53) CA1FABP3NFKB1CES2CES1
Behenic Acid SCHEMBL34465284 0.85 CA1 (0.53) CA1FABP3NFKB1CES2CES1
Dodecanoate SCHEMBL34465289 0.85 CA1 (0.53) CA1FABP3NFKB1CES2CES1
Stearic Acid SCHEMBL34465349 0.85 CA1 (0.53) CA1FABP3NFKB1CES2CES1
Stearic Acid SCHEMBL27580087 0.84 CA1 (0.67) CA1FABP3NFKB1CES2CES1
Dodecanoate SCHEMBL5518529 0.84 CA1 (0.67) CA1FABP3NFKB1CES2CES1
Myristic Acid SCHEMBL27863287 0.84 CA1 (0.67) CA1FABP3NFKB1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112716818-B Dewaxing and relieving liquid for human body depilation wax and preparation method thereof 广州市德馨蜡制品有限公司 2022-08-30 CN claimed
CN-114306131-A Washing composition based on modified corn starch and preparation method thereof 广州百孚润化工有限公司 2022-04-12 CN claimed
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
CN-105287331-A Anti-wrinkle cleansing lotion and preparation method thereof HOMAR BIO TECHNOLOGY GUANGZHOU CO LTD 2016-02-03 CN disclosed
CN-105147532-A Amino acid facial cleanser and preparation method thereof GUANGZHOU HOMAR BIOTECHNOLOGY CO LTD 2015-12-16 CN 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
EP-1057888-B1 Transparent solid detergent composition SHISEIDO HONEYCAKE KOGYO KK (JP) 2003-06-04 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 (6 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 1536/4885LMNA 2013/4885
US-20090068255-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS IN SKIN CARE MMP1, MMP9, MMP17 CA1 4573/4885FABP3 2399/4885LMNA 45/4885
US-20260041094-A1 Compositions Comprising an Antimicrobial Boosting Agent TLR7, MYC, ERG28 CA1 4875/4885FABP3 4504/4885LMNA 4342/4885
US-20260047994-A1 AN ACTIVE COMPOSITION COMPRISING RETINOL RBP4, LRAT, RARB CA1 1939/4885FABP3 624/4885LMNA 2563/4885
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 1919/4885LMNA 893/4885
US-20260096978-A1 A METHOD FOR PREVENTING, MITIGATING AND/OR TREATING PTGS2-INDUCED SKIN DISORDERS AND RELATED DYSFUNCTIONS PTGS2, PTGES2, PTGS1 CA1 1298/4885FABP3 2632/4885LMNA 2747/4885

“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.