SCHEMBL126168

SCHEMBL126168

CCCCCCCCCCCCCC(N)C(=O)[O-].[Na+]

nearest known ligand 0.62

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 18)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 2/20 0.62
CA1 known ✓ P00915 2/20 0.59
GPR84 Q9NQS5 4/20 0.52
GRIK1 P39086 2/20 0.50
GRIK2 Q13002 2/20 0.50
GNAI3 P08754 1/20 0.49
GNAO1 P09471 1/20 0.49
GNAI1 P63096 1/20 0.49
NFKB1 P19838 2/20 0.48
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
LAP3 P28838 1/20 0.47
SPHK1 Q9NYA1 1/20 0.45
FFAR1 O14842 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 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
SCHEMBL28842326 1.00 CA2 (0.62) CA2CA1GPR84GRIK1GRIK2
SCHEMBL28842327 1.00 CA2 (0.62) CA2CA1GPR84GRIK1GRIK2
SCHEMBL9950870 1.00 CA2 (0.62) CA2CA1GPR84GRIK1GRIK2
SCHEMBL1357451 1.00 CA2 (0.62) CA2CA1GPR84GRIK1GRIK2
SCHEMBL28842314 1.00 CA2 (0.62) CA2CA1GPR84GRIK1GRIK2
SCHEMBL28842452 1.00 CA2 (0.62) CA2CA1GPR84GRIK1GRIK2
SCHEMBL34463224 0.96 CA2 (0.57) CA2CA1GPR84GRIK1GRIK2
Norleucine SCHEMBL28842453 0.91 CA2 (0.57) CA2CA1GPR84GRIK1GRIK2
Norleucine SCHEMBL30646313 0.91 CA2 (0.57) CA2CA1GPR84GRIK1GRIK2
SCHEMBL29213762 0.89 FABP3 (0.54) CA2CA1CYP3A4

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 1892 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250025380-A1 PERSONAL CARE DISSOLVABLE SHEET, COMPOSITIONS, METHODS OF MAKING AND USING THE SAME IPX, LLC (US) 2025-01-23 US claimed
EP-1799308-B1 CONDITIONING SHAMPOOS WITH DETERGENT SOLUBLE SILICONES COLGATE PALMOLIVE CO (US) 2014-06-04 EP claimed
US-8535651-B2 Water soluble polymer complexes with surfactants WSP CHEMICALS & TECHNOLOGY, LLC (US) 2013-09-17 US claimed
US-20120251475-A1 WATER SOLUBLE POLYMER COMPLEXES WITH SURFACTANTS WSP CHEMICALS & TECHNOLOGY, LLC (US) 2012-10-04 US claimed
US-7754794-B2 Methods of treating keratin based substrates WSP CHEMICAL & TECHNOLOGY, LLC (US) 2010-07-13 US claimed
US-7405188-B2 Polymeric gel system and compositions for treating keratin substrates containing same WSP CHEMICALS & TECHNOLOGY, LLC (US) 2008-07-29 US claimed
EP-1799308-A1 CONDITIONING SHAMPOOS WITH DETERGENT SOLUBLE SILICONES Colgate-Palmolive Company (US) 2007-06-27 EP claimed
WO-2006044296-A1 CONDITIONING SHAMPOOS WITH DETERGENT SOLUBLE SILICONES COLGATE-PALMOLIVE COMPANY (US) 2006-04-27 WO claimed
US-20060079415-A1 Conditioning shampoos with detergent soluble silicones COLGATE-PALMOLIVE COMPANY 2006-04-13 US claimed
US-20050276778-A1 Water soluble polymer complexes with surfactants WSP CHEMICALS & TECHNOLOGY, LLC (US) 2005-12-15 US claimed
WO-2005099654-A1 WATER SOLUBLE POLYMER COMPLEXES WITH SURFACTANTS WSP CHEMICALS & TECHNOLOGY, LLC (US) 2005-10-27 WO claimed
US-6939536-B2 Cosmetic compositions containing water-soluble polymer complexes WSP CHEMICALS & TECHNOLOGY, LLC (US) 2005-09-06 US claimed
US-20050074417-A1 Polymeric gel system and compositions for treating keratin substrates containing same WSP CHEMICALS & TECHNOLOGY, LLC (US) 2005-04-07 US claimed
US-20030064044-A1 Cosmetic compositions containing water-soluble polymer complexes CHEMLOGICS GROUP, LLC 2003-04-03 US claimed
WO-2002083073-A2 COSMETIC COMPOSITIONS CONTAINING WATER-SOLUBLE POLYMER COMPLEXES WSP CHEMICAL & TECHNOLOGY LLC (US) 2002-10-24 WO claimed
EP-1046390-A1 Compositions and methods for cleaning and removing contaminants from hair Calgon Corporation (US) 2000-10-25 EP claimed
EP-4103335-B1 BOTTLE ADAPTED FOR STORING A LIQUID COMPOSITION WITH AN AESTHETIC DESIGN SUSPENDED THEREIN PROCTER & GAMBLE (US) 2026-05-20 EP disclosed
EP-3894015-B1 SHAMPOO COMPOSITION COMPRISING SHEET-LIKE MICROCAPSULES PROCTER & GAMBLE (US) 2026-05-20 EP disclosed
WO-1983003608-A1 TETRA-SUBSTITUTED AMMONIUM SALT OF N-PHOSPHONOMETHYLGLYCINE AND THEIR USES AS HERBICIDES AND PLANT GROWTH REGULANTS STAUFFER CHEMICAL CO (US) 1983-10-27 WO disclosed
US-4120688-A AMINOMETHYLPHOSPHONIC ACID THE PROCTOR & GAMBLE COMPANY (US) 1978-10-17 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 (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-20060079415-A1 Conditioning shampoos with detergent soluble silicones SMURF1, SGMS1, SGMS2 CA2 4542/4885CA1 4198/4885GPR84 797/4885
US-20050074417-A1 Polymeric gel system and compositions for treating keratin substrates containing same KRT18, CUTA, S100A10 CA2 296/4885CA1 492/4885GPR84 917/4885

“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.