SCHEMBL688744

SCHEMBL688744

CCCCCCC(CCCC)C(=O)[O-].[Na+]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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 16)

geneUniProtsupporting neighboursconfidence
▸ CA2 known ✓ P00918 5/20 1.00
▸ CA1 known ✓ P00915 3/20 0.61
▸ NFKB1 P19838 3/20 0.64
▸ CYP3A4 P08684 2/20 0.64
▸ TSHR P16473 2/20 0.64
▸ NPSR1 Q6W5P4 2/20 0.64
▸ GPR84 Q9NQS5 4/20 0.53
▸ MAPK1 P28482 1/20 0.48
▸ GRIK1 P39086 1/20 0.47
▸ GRIK2 Q13002 1/20 0.47
▸ FFAR1 O14842 1/20 0.47
▸ MAPT P10636 1/20 0.45
▸ LCK P06239 1/20 0.45
▸ PPARD Q03181 1/20 0.45
▸ ZDHHC20 Q5W0Z9 1/20 0.45
▸ ZDHHC2 Q9UIJ5 1/20 0.45

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
SCHEMBL15387920 0.98 CA2 (0.96) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL689372 0.98 CA2 (0.96) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL4254221 0.98 CA2 (0.96) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL5496573 0.98 CA2 (0.96) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL15387978 0.98 CA2 (0.96) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL15387890 0.98 CA2 (0.96) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL5704847 0.98 CA2 (0.96) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL15387941 0.98 CA2 (0.96) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL1963319 0.98 CA2 (0.96) CA2NFKB1CYP3A4TSHRNPSR1
SCHEMBL321981 0.98 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 18 patents. 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
EP-2928999-B1 CLEANING COMPOSITION COLGATE PALMOLIVE CO (US) 2016-12-07 — — 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
EP-1390383-A4 ANTISENSE PERMEATION ENHANCERS ORASENSE LTD (BM) 2008-07-09 — — EP disclosed
US-20070004668-A1 Antisense permeation enhancers IONIS PHARMACEUTICALS, INC. 2007-01-04 — — US disclosed
EP-1390383-A1 ANTISENSE PERMEATION ENHANCERS Orasense, Ltd. (BM) 2004-02-25 — — EP disclosed
US-20030176379-A1 Useful in the administration of a drug, therapy ISIS PHARMACEUTICALS, INC. 2003-09-18 — — US disclosed
WO-2002092616-A1 ANTISENSE PERMEATION ENHANCERS ORASENSE, LTD. (BM) 2002-11-21 — — WO disclosed
US-5736503-A High sudsing detergent compositions with specially selected soaps THE PROCTER & GAMBLE COMPANY (US) 1998-04-07 — — US disclosed
WO-1994012608-A1 HIGH SUDSING DETERGENT COMPOSITIONS WITH SPECIALLY SELECTED SOAPS THE PROCTER & GAMBLE COMPANY (US) 1994-06-09 — — 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.

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