Dodecanoate

Dodecanoate

SCHEMBL29543706

CCCCCCCCCCCC(=O)O.CCO.CCO

nearest known ligand 0.90

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.90
PPARG P37231 7/20 0.90
PPARD Q03181 7/20 0.90
PPARA Q07869 7/20 0.90
HDAC11 Q96DB2 5/20 0.90
TSHR P16473 4/20 0.90
PTPN1 P18031 3/20 0.90
FABP4 P15090 3/20 0.90
ALDH1A1 P00352 2/20 0.90
TLR2 O60603 2/20 0.90
TDP1 Q9NUW8 2/20 0.90
KMT2A Q03164 2/20 0.90
ALOX15 P16050 2/20 0.90
HSD17B10 Q99714 2/20 0.90
SLC22A6 Q4U2R8 1/20 0.90
SLC22A8 Q8TCC7 1/20 0.90
MEN1 O00255 1/20 0.90
ESR1 P03372 1/20 0.90
PDE4A P27815 1/20 0.90
PDE3A Q14432 1/20 0.90

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
Stearic Acid SCHEMBL29564580 1.00 GPR84 (0.90) GPR84PPARGPPARDPPARAHDAC11
Myristic Acid SCHEMBL30135415 1.00 GPR84 (0.90) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL29656950 1.00 GPR84 (0.90) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL6561600 1.00 GPR84 (0.90) GPR84PPARGPPARDPPARAHDAC11
Decanoic Acid SCHEMBL6563209 1.00 GPR84 (0.90) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL30605282 1.00 GPR84 (0.90) GPR84PPARGPPARDPPARAHDAC11
Myristic Acid SCHEMBL1830813 1.00 GPR84 (0.90) GPR84PPARGPPARDPPARAHDAC11
Behenic Acid SCHEMBL6563203 1.00 GPR84 (0.90) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL2575032 1.00 GPR84 (0.90) GPR84PPARGPPARDPPARAHDAC11
Octanoic Acid SCHEMBL30799574 1.00 GPR84 (0.90) GPR84PPARGPPARDPPARAHDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119286488-A Non-acidic unblocking liquid system for unblocking oil and gas well and preparation method thereof 中石化石油工程技术服务股份有限公司 2025-01-10 CN claimed
CN-118291100-A Oil-based drilling fluid and preparation method and application thereof 中国石油化工股份有限公司 2024-07-05 CN claimed
CN-118059778-A Fluorescent microsphere with high load rate and preparation method thereof 苏州星烁纳米科技有限公司 2024-05-24 CN claimed
CN-117509926-A Non-acidic descaling agent for well bore of gas well, and preparation and application thereof 中国石油天然气股份有限公司 2024-02-06 CN claimed
US-12350357-B2 Active agents for skin and hair care with physicochemical modifying properties SYMRISE AG (DE) 2025-07-08 US disclosed
CN-119286488-A Non-acidic unblocking liquid system for unblocking oil and gas well and preparation method thereof 中石化石油工程技术服务股份有限公司 2025-01-10 CN disclosed
CN-118059778-A Fluorescent microsphere with high load rate and preparation method thereof 苏州星烁纳米科技有限公司 2024-05-24 CN disclosed
CN-117509926-A Non-acidic descaling agent for well bore of gas well, and preparation and application thereof 中国石油天然气股份有限公司 2024-02-06 CN disclosed
US-20230293403-A1 Compositions Comprising Lipophilic Compounds and One or More (Bio)-Alkanediols SYMRISE AG (DE) 2023-09-21 US disclosed
US-20230248626-A1 Compositions Comprising (Bio)-Alkanediols SYMRISE AG (DE) 2023-08-10 US disclosed
US-20230129036-A1 AVENANTHRAMIDE COMPOSITIONS WITH IMPROVED SOLUBILITY COMPRISING 4-HYDROXYPHENONE SYMRISE AG (DE) 2023-04-27 US disclosed
US-20230131993-A1 COMPOSITION COMPRISING AN AVENANTHRAMIDE OR AN ANALOGUE THEREOF WITH IMPROVED STABILITY SYMRISE AG (DE) 2023-04-27 US disclosed
US-20230118435-A1 COMPOSITION COMPRISING AN AVENANTHRAMIDE WITH IMPROVED SKIN PENETRATION SYMRISE AG (DE) 2023-04-20 US disclosed
US-20220105016-A1 ACTIVE AGENTS FOR SKIN AND HAIR CARE WITH PHYSICOCHEMICAL MODIFYING PROPERTIES SYMRISE AG (DE) 2022-04-07 US 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 (5 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-20230293403-A1 Compositions Comprising Lipophilic Compounds and One or More (Bio)-Alkanediols CUTA, TRPA1, SMURF2 GPR84 934/4885PPARG 418/4885PPARD 273/4885
US-20230248626-A1 Compositions Comprising (Bio)-Alkanediols OR51E2, OR10J3, TRPA1 GPR84 1523/4885PPARG 1517/4885PPARD 1528/4885
US-20230129036-A1 AVENANTHRAMIDE COMPOSITIONS WITH IMPROVED SOLUBILITY COMPRISING 4-HYDROXYPHENONE HPD, CYP4A22, PAH GPR84 4057/4885PPARG 1318/4885PPARD 1197/4885
US-20230131993-A1 COMPOSITION COMPRISING AN AVENANTHRAMIDE OR AN ANALOGUE THEREOF WITH IMPROVED STABILITY OAT, PIGS, HLA-A GPR84 3402/4885PPARG 491/4885PPARD 343/4885
US-20230118435-A1 COMPOSITION COMPRISING AN AVENANTHRAMIDE WITH IMPROVED SKIN PENETRATION CUTA, ABCG2, MMP7 GPR84 2150/4885PPARG 766/4885PPARD 682/4885

“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.