Dodecane

Dodecane

SCHEMBL3040512

CCCCCCCCCCCC.Cl.Cl.Cl.Cl

nearest known ligand 0.89

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.89
THRB P10828 1/20 0.89
DNM1 Q05193 8/20 0.64
LMNA P02545 3/20 0.60
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
HSD17B10 Q99714 1/20 0.57
SLC22A1 O15245 1/20 0.57

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
Hexadecane SCHEMBL5510405 1.00 TSHR (0.89) TSHRTHRBDNM1LMNAALDH1A1
Octane SCHEMBL8645563 1.00 TSHR (0.89) TSHRTHRBDNM1LMNAALDH1A1
Octane SCHEMBL9775406 1.00 TSHR (0.89) TSHRTHRBDNM1LMNAALDH1A1
Decane SCHEMBL10448068 1.00 TSHR (0.89) TSHRTHRBDNM1LMNAALDH1A1
Nonane SCHEMBL3814127 1.00 TSHR (0.89) TSHRTHRBDNM1LMNAALDH1A1
Decane SCHEMBL7183338 1.00 TSHR (0.89) TSHRTHRBDNM1LMNAALDH1A1
Octane SCHEMBL8167210 1.00 TSHR (0.89) TSHRTHRBDNM1LMNAALDH1A1
Heptane SCHEMBL694283 1.00
Nonane SCHEMBL2961102 1.00 TSHR (0.89) TSHRTHRBDNM1LMNAALDH1A1
Heptane SCHEMBL3638943 1.00

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230276794-A1 MESH MATERIALS FOR CONTROLLED RELEASE OF ANTIVIRALS, METHOD AND USE 2HEAL INDUSTRIA E COMERCIO DE PRODUTOS QUIMICOS PARA USO INDUSTRIAL LTDA (BR) 2023-09-07 US claimed
EP-4186382-A1 MESH MATERIALS FOR CONTROLLED RELEASE OF ANTIVIRALS, METHOD AND USE Universidade Federal de Minas Gerais (BR) 2023-05-31 EP claimed
WO-2022018689-A1 MESH MATERIALS FOR CONTROLLED RELEASE OF ANTIVIRALS, METHOD AND USE UNIVERSIDADE FEDERAL DE MINAS GERAIS (BR) 2022-01-27 WO claimed
US-6987099-B2 Uncomplexed cyclodextrin compositions for odor control THE PROCTER & GAMBLE COMPANY (US) 2006-01-17 US claimed
US-20040127463-A1 Uncomplexed cyclodextrin compositions for odor control THE PROCTER & GAMBLE COMPANY 2004-07-01 US claimed
US-6656923-B1 With compatible surfactant; water soluble antimicrobial; perfume; optional additives and wrinkle control agent selected from: compatible fiber lubricants, shape retention polymers, lithium salts, and mixtures thereof THE PROCTER & GAMBLE COMPANY 2003-12-02 US claimed
US-6284231-B1 Uncomplexed cyclodextrin compositions for odor control THE PROCTER & GAMBLE COMPANY 2001-09-04 US claimed
EP-1124923-A1 FOOD CLEANING COMPOSITIONS CONTAINING CYCLODEXTRIN THE PROCTER & GAMBLE COMPANY (US) 2001-08-22 EP claimed
EP-0988064-A1 IMPROVED UNCOMPLEXED CYCLODEXTRIN COMPOSITIONS FOR ODOR CONTROL THE PROCTER & GAMBLE CELLULOSE COMPANY (an Ohio corp.) (US) 2000-03-29 EP claimed
EP-0988365-A1 UNCOMPLEXED CYCLODEXTRIN COMPOSITIONS FOR ODOR CONTROL THE PROCTER & GAMBLE COMPANY (US) 2000-03-29 EP claimed
EP-0988364-A1 UNCOMPLEXED CYCLODEXTRIN COMPOSITIONS FOR ODOR AND WRINKLE CONTROL THE PROCTER & GAMBLE COMPANY (US) 2000-03-29 EP claimed
WO-1999055815-A1 IMPROVED UNCOMPLEXED CYCLODEXTRIN COMPOSITIONS FOR ODOR CONTROL THE PROCTER & GAMBLE COMPANY (US) 1999-11-04 WO claimed
WO-1998056889-A1 FOOD CLEANING COMPOSITIONS CONTAINING CYCLODEXTRIN THE PROCTER & GAMBLE COMPANY (US) 1998-12-17 WO claimed
WO-1998056429-A1 IMPROVED UNCOMPLEXED CYCLODEXTRIN COMPOSITIONS FOR ODOR CONTROL THE PROCTER & GAMBLE COMPANY (US) 1998-12-17 WO claimed
WO-1998056888-A1 UNCOMPLEXED CYCLODEXTRIN COMPOSITIONS FOR ODOR CONTROL THE PROCTER & GAMBLE COMPANY (US) 1998-12-17 WO claimed
WO-1998056890-A1 UNCOMPLEXED CYCLODEXTRIN COMPOSITIONS FOR ODOR AND WRINKLE CONTROL THE PROCTER & GAMBLE COMPANY (US) 1998-12-17 WO claimed
US-20250195445-A1 LONG-LASTING ANTIMICROBIAL COMPOSITIONS CONTAINING CATIONIC ACTIVE AGENTS AND ANIONIC EXCIPIENTS AND USES UNIVERSIDADE FEDERAL DE MINAS GERAIS - UFMG (BR) 2025-06-19 US disclosed
EP-4477217-A1 LONG-LASTING ANTIMICROBIAL COMPOSITIONS CONTAINING CATIONIC ACTIVE AGENTS AND ANIONIC EXCIPIENTS AND USES Universidade Federal De Minas Gerais - UFMG (BR) 2024-12-18 EP disclosed
EP-0480811-A2 Non-staining anti-bacterial oral composition Colgate-Palmolive Company (a Delaware corporation) (US) 1992-04-15 EP disclosed
EP-0373429-A2 Oral treatment method for reducing plaque with reduced staining THE PROCTER & GAMBLE COMPANY (US) 1990-06-20 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-20040127463-A1 Uncomplexed cyclodextrin compositions for odor control CTRL, SIGMAR1, VDAC1 TSHR 4604/4885THRB 4446/4885DNM1 3630/4885

“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.