Tridecanoate

Tridecanoate

SCHEMBL1994545

CCCCCCCCCCCCC(=O)O.Cl

nearest known ligand 0.94

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 Tridecanoate. 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
PPARG known ✓ P37231 7/20 0.94
HDAC11 known ✓ Q96DB2 5/20 0.94
ESR1 known ✓ P03372 1/20 0.94
PDE4A known ✓ P27815 1/20 0.94
PDE3A known ✓ Q14432 1/20 0.94
GPR84 Q9NQS5 7/20 0.94
PPARD Q03181 7/20 0.94
PPARA Q07869 7/20 0.94
TSHR P16473 4/20 0.94
PTPN1 P18031 3/20 0.94
FABP4 P15090 3/20 0.94
ALDH1A1 P00352 2/20 0.94
TLR2 O60603 2/20 0.94
TDP1 Q9NUW8 2/20 0.94
KMT2A Q03164 2/20 0.94
ALOX15 P16050 2/20 0.94
HSD17B10 Q99714 2/20 0.94
SLC22A6 Q4U2R8 1/20 0.94
SLC22A8 Q8TCC7 1/20 0.94
MEN1 O00255 1/20 0.94

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
Palmitic Acid SCHEMBL7556500 1.00 GPR84 (0.94) GPR84PPARGPPARDPPARAHDAC11
Lignoceric Acid SCHEMBL3674713 1.00 GPR84 (0.94) GPR84PPARGPPARDPPARAHDAC11
Nonanoate SCHEMBL4152676 1.00 GPR84 (0.94) GPR84PPARGPPARDPPARAHDAC11
Pentadecanoic Acid SCHEMBL6712161 1.00 GPR84 (0.94) GPR84PPARGPPARDPPARAHDAC11
Heptanoate SCHEMBL19994751 1.00 GPR84 (0.94) GPR84PPARGPPARDPPARAHDAC11
Nonanoate SCHEMBL20572899 1.00 GPR84 (0.94) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL23581128 1.00 GPR84 (0.94) GPR84PPARGPPARDPPARAHDAC11
Palmitic Acid SCHEMBL539137 1.00 GPR84 (0.94) GPR84PPARGPPARDPPARAHDAC11
Heneicosanoic Acid SCHEMBL7907716 1.00 GPR84 (0.94) GPR84PPARGPPARDPPARAHDAC11
Behenic Acid SCHEMBL926255 1.00 GPR84 (0.94) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118239859-A Hydrazide compound, rubber composition, and preparation methods and applications thereof 中策橡胶集团股份有限公司 2024-06-25 CN disclosed
WO-2023179463-A1 CATIONIC LIPID COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF, AND MRNA DELIVERY SYSTEM 深圳新合睿恩生物医疗科技有限公司 2023-09-28 WO disclosed
US-20160028177-A1 ELECTRIC CONNECTION STRUCTURE AND TERMINAL AUTONETWORKS TECHNOLOGIES, LTD. (JP) 2016-01-28 US disclosed
US-8841242-B2 Anti-wear agent, additive composition for lubricant, and lubricant composition IDEMITSU KOSAN CO., LTD. (JP) 2014-09-23 US disclosed
EP-2520638-A1 Anti-wear agent, additive composition for lubricant, and lubricant composition IDEMITSU KOSAN CO., LTD. (JP) 2012-11-07 EP disclosed
US-20110152145-A1 ANTI-WEAR AGENT, ADDITIVE COMPOSITION FOR LUBRICANT, AND LUBRICANT COMPOSITION IDEMITSU KOSAN CO., LTD. (JP) 2011-06-23 US disclosed
EP-2177594-A1 ANTI-WEAR AGENT, ADDITIVE COMPOSITION FOR LUBRICANT, AND LUBRICANT COMPOSITION Idemitsu Kosan Co., Ltd. (JP) 2010-04-21 EP disclosed
US-20040242594-A1 Prodrugs of antidepressants and their use for treating depressions NEUROSEARCH A/S (DK) 2004-12-02 US disclosed
EP-1448512-A1 PRODRUGS OF ANTIDEPRESSANTS AND THEIR USE FOR TREATING DEPRESSIONS NeuroSearch A/S (DK) 2004-08-25 EP disclosed
WO-2003042162-A1 PRODRUGS OF ANTIDEPRESSANTS AND THEIR USE FOR TREATING DEPRESSIONS NEUROSEARCH A/S (DK) 2003-05-22 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 (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-20040242594-A1 Prodrugs of antidepressants and their use for treating depressions TPH1, SLC6A4, TPH2 PPARG 2703/4885HDAC11 429/4885ESR1 1132/4885

“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.