Dodecane

Dodecane

SCHEMBL460170

CCC(=O)[O-].CCC(=O)[O-].CCCCCCCCCCCC.N.[Na+].[Na+]

nearest known ligand 0.67

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 Dodecane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 1/20 0.59
CA2 known ✓ P00918 1/20 0.52
CES2 O00748 4/20 0.55
CES1 P23141 4/20 0.55
GPR84 Q9NQS5 1/20 0.52
FABP3 P05413 4/20 0.50
FFAR3 O14843 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50

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
Heptanoate SCHEMBL6743537 0.87 CA1 (0.73) CA1CES2CES1GPR84FABP3
Octadecylamine SCHEMBL28997993 0.85 DNM1 (0.59) CA1CES2CES1
Propionic Acid SCHEMBL27963799 0.85 DNM1 (0.59) CA1CES2CES1
Dodecylamine SCHEMBL11763824 0.85 DNM1 (0.59) CA1CES2CES1
Dodecane SCHEMBL28245552 0.85 CES2 (0.63) CA1CES2CES1CA2GPR84
Propionic Acid SCHEMBL16799783 0.85 FFAR3 (0.56) CA1CA2FFAR3HDAC3HDAC1
Dodecanoate SCHEMBL11144164 0.84 CA1 (0.76) CA1CES2CES1GPR84FABP3
Propionic Acid SCHEMBL28516410 0.84 SOAT1 (0.59) CA1CES2CES1FABP3
Dodecane SCHEMBL28489607 0.84 CA1 (0.48) CA1CES2CES1CA2GPR84
Octane SCHEMBL28390058 0.82 CES2 (0.60) CA1CES2CES1CA2GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230084521-A1 PROPOFOL PRODRUG METHODS AND COMPOSITIONS EPALEX CORPORATION 2023-03-16 US claimed
US-20220105050-A1 PROPOFOL PRODRUG METHODS AND COMPOSITIONS EPALEX CORPORATION 2022-04-07 US claimed
EP-1615935-A4 PHOSPHATE DERIVATIVES VITAL HEALTH SCIENCES PTY LTD (AU) 2008-04-23 EP claimed
US-20070135390-A1 Phosphate derivatives VITAL HEALTH SCIENCES PTY. LTD (AU) 2007-06-14 US claimed
JP-2006523622-A 2006-10-19 JP claimed
EP-1615935-A1 PHOSPHATE DERIVATIVES Vital Health Sciences Pty Ltd. (AU) 2006-01-18 EP claimed
WO-2004092187-A1 PHOSPHATE DERIVATIVES VITAL HEALTH SCIENCES PTY LTD (AU) 2004-10-28 WO claimed
US-20250312361-A1 FOSPROPOFOL METHODS AND COMPOSITIONS EPALEX CORP (US) 2025-10-09 US disclosed
US-12377110-B2 Fospropofol methods and compositions EPALEX CORPORATION (US) 2025-08-05 US disclosed
EP-4288062-A1 FOSPROPOFOL METHODS AND COMPOSITIONS Epalex Corporation (US) 2023-12-13 EP disclosed
US-20230277567-A1 FOSPROPOFOL METHODS AND COMPOSITIONS EPALEX CORPORATION 2023-09-07 US disclosed
US-11628178-B2 Fospropofol methods and compositions EPALEX CORPORATION (US) 2023-04-18 US disclosed
US-20230084521-A1 PROPOFOL PRODRUG METHODS AND COMPOSITIONS EPALEX CORPORATION 2023-03-16 US disclosed
WO-2004091636-A1 PHOSPHATE DERIVATIVES OF PHARMACEUTICAL PRODUCTS VITAL HEALTH SCIENCES PTY LTD (AU) 2004-10-28 WO disclosed
WO-2004092187-A1 PHOSPHATE DERIVATIVES VITAL HEALTH SCIENCES PTY LTD (AU) 2004-10-28 WO disclosed
US-20040106641-A1 Novel 7-azaindoles, use thereof as phosphodiesterase 4 inhibitors and method for producing the same BIOTIE THERAPIES GMBH (DE) 2004-06-03 US disclosed
US-20040052754-A1 Complexes of phosphate derivatives VITAL HEALTH SCIENCES PTY LTD. (AU) 2004-03-18 US disclosed
US-20030229139-A1 Impregnating carrier with cyfluthrin; controlling particle size BAYER AKTIENGESELLSCHAFT (DE) 2003-12-11 US disclosed
US-6054459-A INSECTICIDES AND ECTOPARASITICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-04-25 US disclosed
US-4728498-A Process for disinfecting article with device dispensing chlorine donor and chlorine acceptor ALZA CORPORATION (US) 1988-03-01 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 (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-11628178-B2 Fospropofol methods and compositions FOS, FOSB, PFAS CA1 2700/4885CA2 2395/4885CES2 198/4885
US-20250312361-A1 FOSPROPOFOL METHODS AND COMPOSITIONS FOS, FOSB, PFAS CA1 2700/4885CA2 2395/4885CES2 198/4885
US-20040106641-A1 Novel 7-azaindoles, use thereof as phosphodiesterase 4 inhibitors and method for producing the same PDE4A, PDE4B, PDE4C CA1 3105/4885CA2 2211/4885CES2 258/4885
US-20230277567-A1 FOSPROPOFOL METHODS AND COMPOSITIONS FOS, FOSB, PFAS CA1 2700/4885CA2 2395/4885CES2 198/4885
US-20070135390-A1 Phosphate derivatives GNPAT, DERA, PGD CA1 3772/4885CA2 1962/4885CES2 2200/4885
US-12377110-B2 Fospropofol methods and compositions FOS, FOSB, PFAS CA1 2700/4885CA2 2395/4885CES2 198/4885

“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.