SCHEMBL1300252

SCHEMBL1300252

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

nearest known ligand 0.42

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 6)

geneUniProtsupporting neighboursconfidence
FDPS known ✓ P14324 2/20 0.41
CA1 known ✓ P00915 1/20 0.39
SMPD1 P17405 4/20 0.41
FABP3 P05413 5/20 0.40
GPR84 Q9NQS5 1/20 0.38
CES2 O00748 1/20 0.37

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
SCHEMBL28807752 0.84 PLA2G2A (0.44) SMPD1FDPSFABP3GPR84
SCHEMBL1446187 0.84 PLA2G2A (0.44) SMPD1FDPSFABP3GPR84
SCHEMBL28298177 0.84 PLA2G2A (0.44) SMPD1FDPSFABP3GPR84
Hydrochloric Acid SCHEMBL28264679 0.82 PLA2G2A (0.43) SMPD1FDPSFABP3GPR84
SCHEMBL1115354 0.82 PLA2G2A (0.43) SMPD1FDPSFABP3GPR84
Hydrochloric Acid SCHEMBL1115261 0.82 PLA2G2A (0.43) SMPD1FDPSFABP3GPR84
Hydrochloric Acid SCHEMBL5073983 0.82 PLA2G2A (0.43) SMPD1FDPSFABP3GPR84
Acetic Acid SCHEMBL27859692 0.76 SMPD1 (0.47) SMPD1FDPSCA1CES2
SCHEMBL29827178 0.74 SMPD1 (0.46) SMPD1FDPSCA1CES2
SCHEMBL31457837 0.74 SMPD1 (0.46) SMPD1FDPSCA1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3443951-B1 SUPERFATTING AGENT AND PERSONAL CARE COMPOSITION SABO SPA (IT) 2022-09-21 EP disclosed
EP-3443951-A1 SUPERFATTING AGENT AND PERSONAL CARE COMPOSITION Sabo S.p.A. (IT) 2019-02-20 EP disclosed
US-8920927-B2 Resin particle and resin dispersion SANYO CHEMICAL INDUSTRIES, LTD (JP) 2014-12-30 US disclosed
US-8852741-B2 Resin particle and resin dispersion SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2014-10-07 US disclosed
US-8278350-B2 Agent for skin external use containing salt of ascorbic acid derivative, method for stabilizing the agent for skin external use, and stabilizer SHOWA DENKO K.K. (JP) 2012-10-02 US disclosed
US-8242169-B2 Emulsion composition SHOWA DENKO K.K. (JP) 2012-08-14 US disclosed
US-20110269874-A1 RESIN PARTICLE AND RESIN DISPERSION SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2011-11-03 US disclosed
EP-1887027-B1 RESIN PARTICLE AND RESIN DISPERSION SANYO CHEMICAL IND LTD (JP) 2011-06-08 EP disclosed
US-7862896-B2 Core-shell resin particle having low content of volatile components, and resin dispersion SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2011-01-04 US disclosed
US-20090264578-A1 Aggregation-preventive aqueous dispersion slurry coating material and process for producing the same SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2009-10-22 US disclosed
EP-1710272-A1 RESIN DISPERSION AND RESIN PARTICLE SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2006-10-11 EP disclosed
US-20060222616-A1 Cosmetic composition comprising a and a lipopeptide KANEKA CORPORATION (JP) 2006-10-05 US disclosed
EP-1689494-A1 AGENT FOR SKIN EXTERNAL USE CONTAINING SALT OF ASCORBIC ACID DERIVATIVE, METHOD FOR STABILIZING THE AGENT FOR SKIN EXTERNAL USE, AND STABILIZER Showa Denko K.K. (JP) 2006-08-16 EP disclosed
EP-1660025-A1 COSMETIC COMPOSITION CONTAINING A POLYOXYETHYL COMBINATION AND A LIPOPEPTIDE Showa Denko K.K. (JP) 2006-05-31 EP disclosed
WO-2005094777-A1 EXTERNAL PREPARATION FOR SKIN SHOWA DENKO K.K. (JP) 2005-10-13 WO disclosed
WO-2005095462-A1 MOISTURE RETENTION POLYMER COMPOUND SHOWA DENKO K.K. (JP) 2005-10-13 WO disclosed
US-20050220744-A1 Polysaccharide/functional compound complex SHOWA DENKO K.K. 2005-10-06 US disclosed
WO-2005089708-A1 OIL-IN-WATER EMULSIFIED COMPOSITION, AND EXTERNAL PREPARATION FOR SKIN AND COSMETICS USING THE COMPOSITION SHOWA DENKO K.K. (JP) 2005-09-29 WO disclosed
WO-2005034903-A1 AGENT FOR SKIN EXTERNAL USE CONTAINING SALT OF ASCORBIC ACID DERIVATIVE, METHOD FOR STABILIZING THE AGENT FOR SKIN EXTERNAL USE, AND STABILIZER SHOWA DENKO K.K. (JP) 2005-04-21 WO disclosed
WO-2005020950-A1 COSMETIC COMPOSITION COMPRISING A AND A LIPOPEPTIDE SHOWA DENKO K.K. (JP) 2005-03-10 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-20060222616-A1 Cosmetic composition comprising a and a lipopeptide CUTA, SMURF1, FABP4 FDPS 3983/4885CA1 4571/4885SMPD1 68/4885

“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.