SCHEMBL689372

SCHEMBL689372

CCCCCCCCCCC(CCCCCCCC)C(=O)[O-].[Na+]

nearest known ligand 0.96

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 2/20 0.96
CA1 known ✓ P00915 2/20 0.63
NFKB1 P19838 3/20 0.67
CYP3A4 P08684 2/20 0.67
TSHR P16473 2/20 0.67
NPSR1 Q6W5P4 2/20 0.67
GPR84 Q9NQS5 4/20 0.55
GRIK1 P39086 2/20 0.48
GRIK2 Q13002 2/20 0.48
FFAR1 O14842 1/20 0.48
MAPT P10636 1/20 0.47
LCK P06239 1/20 0.47
PPARD Q03181 1/20 0.47
ZDHHC20 Q5W0Z9 1/20 0.47
ZDHHC2 Q9UIJ5 1/20 0.47
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46

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
SCHEMBL15387978 1.00 CA2 (0.96) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL5496573 1.00 CA2 (0.96) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL4254221 1.00 CA2 (0.96) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL1963319 1.00 CA2 (0.96) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL15387890 1.00 CA2 (0.96) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL15387941 1.00 CA2 (0.96) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL6608444 1.00 CA2 (0.96) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL321981 1.00 CA2 (0.96) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL15387920 1.00 CA2 (0.96) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL5704847 1.00 CA2 (0.96) CA2NFKB1CYP3A4TSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390383-B1 ANTISENSE PERMEATION ENHANCERS ISIS PHARMACEUTICALS INC (US) 2012-02-29 EP claimed
US-8039444-B2 Antisense permeation enhancers ISIS PHARMACEUTICALS, INC. (US) 2011-10-18 US claimed
EP-1390383-A4 ANTISENSE PERMEATION ENHANCERS ORASENSE LTD (BM) 2008-07-09 EP claimed
US-20070004668-A1 Antisense permeation enhancers IONIS PHARMACEUTICALS, INC. 2007-01-04 US claimed
JP-2004537516-A 2004-12-16 JP claimed
EP-1390383-A1 ANTISENSE PERMEATION ENHANCERS Orasense, Ltd. (BM) 2004-02-25 EP claimed
US-20030176379-A1 Useful in the administration of a drug, therapy ISIS PHARMACEUTICALS, INC. 2003-09-18 US claimed
WO-2002092616-A1 ANTISENSE PERMEATION ENHANCERS ORASENSE, LTD. (BM) 2002-11-21 WO claimed
WO-2023194943-A1 BENZOHETERODIAZOLE COMPOUNDS DISUBSTITUTED WITH DITHIENOPYRROLE GROUPS ENI S.P.A. (IT) 2023-10-12 WO disclosed
CN-115260197-A Fused ring compound and preparation method and application thereof 深圳市国华光电研究院 2022-11-01 CN disclosed
EP-1392272-B1 PERMEATION ENHANCERS MERRION RES III LTD (IE) 2014-08-06 EP disclosed
EP-1228150-B1 INK JET INKS, INKS, AND OTHER COMPOSITIONS CONTAINING COLORED PIGMENTS CABOT CORP (US) 2013-09-04 EP disclosed
EP-1390383-B1 ANTISENSE PERMEATION ENHANCERS ISIS PHARMACEUTICALS INC (US) 2012-02-29 EP disclosed
US-8039444-B2 Antisense permeation enhancers ISIS PHARMACEUTICALS, INC. (US) 2011-10-18 US disclosed
WO-2001030918-A1 INK JET INKS, INKS, AND OTHER COMPOSITIONS CONTAINING COLORED PIGMENTS CABOT CORPORATION (US) 2001-05-03 WO disclosed
WO-2001030919-A1 INK JET INKS, INKS, AND OTHER COMPOSITIONS CONTAINING COLORED PIGMENTS CABOT CORPORATION (US) 2001-05-03 WO disclosed
US-6218067-B1 BLEND OF POLYMER PARTICLES AND REACTION PRODUCT OF PIGMENT CABOT CORPORATION 2001-04-17 US disclosed
WO-2001025340-A1 MODIFIED PIGMENTS HAVING STERIC AND AMPHIPHILIC GROUPS CABOT CORPORATION (US) 2001-04-12 WO disclosed
WO-2000052102-A1 PROCESS FOR PREPARING COLORED PIGMENTS CABOT CORPORATION (US) 2000-09-08 WO disclosed
WO-2000028386-A1 TONERS CONTAINING CHARGEABLE MODIFIED PIGMENTS CABOT CORPORATION (US) 2000-05-18 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 (2 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-20070004668-A1 Antisense permeation enhancers SLC22A8, SLCO1B1, SLCO2B1 CA2 2174/4885CA1 3793/4885NFKB1 3719/4885
US-20030176379-A1 Useful in the administration of a drug, therapy SLC19A1, POLRMT, SNRPE CA2 2883/4885CA1 3441/4885NFKB1 3845/4885

“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.