SCHEMBL455072

SCHEMBL455072

CCCCCCCCCCCCCCCC(=O)[N+](CC)(CCO)C(=O)CCCCCCCCCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.45
CES1 P23141 3/20 0.45
DNM1 Q05193 1/20 0.44
GPR84 Q9NQS5 7/20 0.43
PPARG P37231 6/20 0.43
PPARD Q03181 6/20 0.43
PPARA Q07869 6/20 0.43
HDAC11 Q96DB2 5/20 0.43
TSHR P16473 4/20 0.43
ALDH1A1 P00352 2/20 0.43
TLR2 O60603 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
FABP4 P15090 2/20 0.43
PTPN1 P18031 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
MEN1 O00255 1/20 0.43
ESR1 P03372 1/20 0.43
ALOX15 P16050 1/20 0.43
PDE4A P27815 1/20 0.43

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
SCHEMBL457603 1.00 CES2 (0.45) CES2CES1DNM1GPR84PPARG
Hydrochloric Acid SCHEMBL16538158 0.98 CES2 (0.43) CES2CES1DNM1GPR84PPARG
SCHEMBL8898124 0.92 CES2 (0.48) CES2CES1DNM1GPR84PPARG
SCHEMBL29409483 0.90 FABP3 (0.54) PPARGPPARDPPARATDP1FABP4
Hydrochloric Acid SCHEMBL28933231 0.89 CES2 (0.42) CES2CES1GPR84PPARGPPARD
Hydrochloric Acid SCHEMBL29088738 0.87 DNM1 (0.47) CES2CES1DNM1GPR84PPARG
SCHEMBL28384434 0.86 CES2 (0.38) CES2CES1DNM1GPR84PPARG
SCHEMBL28748103 0.86 CES2 (0.38) CES2CES1DNM1GPR84PPARG
SCHEMBL5907427 0.84 CES2 (0.48) CES2CES1GPR84PPARGPPARD
Hydrochloric Acid SCHEMBL28951891 0.84 CES2 (0.52) CES2CES1GPR84PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4642425-A1 COMPOSITION COMPRISING AT LEAST N,N-DICARBOXYMETHYLGLUTAMIC ACID, AT LEAST ONE COLOURING AGENT AND AT LEAST ONE FATTY AMINE L'OREAL (FR) 2025-11-05 EP claimed
EP-4642428-A1 COMPOSITION COMPRISING AT LEAST N,N-DICARBOXYMETHYLGLUTAMIC ACID, AT LEAST ONE DIRECT DYE, AT LEAST ONE CATIONIC POLYSACCHARIDE, AND AT LEAST ONE NON-CATIONIC POLYSACCHARIDE L'OREAL (FR) 2025-11-05 EP claimed
EP-3389789-B2 COMPOSITION COMPRISING THE COMBINATION OF SPECIFIC ALKOXYSILANES AND OF A SURFACTANT OREAL (FR) 2024-10-23 EP claimed
WO-2024141614-A1 COMPOSITION COMPRISING AT LEAST N,N-DICARBOXYMETHYLGLUTAMIC ACID, AT LEAST ONE DIRECT DYE, AT LEAST ONE CATIONIC POLYSACCHARIDE, AND AT LEAST ONE NON-CATIONIC POLYSACCHARIDE L'OREAL (FR) 2024-07-04 WO claimed
WO-2024141615-A1 COMPOSITION COMPRISING AT LEAST N,N-DICARBOXYMETHYLGLUTAMIC ACID, AT LEAST ONE COLOURING AGENT AND AT LEAST ONE FATTY AMINE L'OREAL (FR) 2024-07-04 WO claimed
EP-3091958-B1 COSMETIC COMPOSITION COMPRISING CATIONIC SURFACTANT(S), ANTIDANDRUFF AGENT(S), LIQUID NON-SILICEOUS FATTY SUBSTANCE(S), AND NON-POLYMERIC THICKENING AGENT(S) OREAL (FR) 2024-04-03 EP claimed
US-11497941-B2 Cosmetic composition comprising an organosilane, a cationic surfactant and a cationic polymer having charge density greater than or equal to 4 meq/g L'OREAL (FR) 2022-11-15 US claimed
US-11413232-B2 Composition comprising the combination of specific alkoxysilanes and of a surfactant L'OREAL (FR) 2022-08-16 US claimed
EP-3810079-B1 HAIR DYEING COMPOSITION COMPRISING AN OXIDATION DYE, A SCLEROGLUCAN GUM AND AN ALKALINE AGENT SUCH AS AN AMINO ACID OREAL (FR) 2022-08-03 EP claimed
EP-3223783-B1 COSMETIC COMPOSITION COMPRISING AN ORGANOSILANE, A CATIONIC SURFACTANT AND A CATIONIC POLYMER HAVING CHARGE DENSITY GREATER THAN OR EQUAL TO 4 MEQ/G OREAL (FR) 2021-06-23 EP claimed
EP-3041581-B1 HAIR CARE COMPOSITION COMPRISING AMINO SILICONE, FATTY ALCOHOL AND PARAFFIN OIL OREAL (FR) 2020-04-01 EP claimed
EP-2677990-B1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A DIRECT DYE BEARING A DISULFIDE/THIOL FUNCTION, A SPARINGLY OR NON-ETHOXYLATED FATTY ALCOHOL, A CATIONIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT OREAL (FR) 2019-05-15 EP claimed
EP-2916803-B1 COMPOSITION COMPRISING A DICARBONYL COMPOUND AND PROCESS FOR STRAIGHTENING THE HAIR USING THIS COMPOSITION OREAL (FR) 2017-08-16 EP claimed
WO-2017108551-A1 HAIR DYEING PROCESS USING NATURAL DYE, OXIDIZING AGENT, FATTY SUBSTANCES AND SURFACTANTS, COMPOSITION AND KIT COMPRISING THE INGREDIENTS L'OREAL (FR) 2017-06-29 WO claimed
US-20160206547-A1 HAIR CARE COMPOSITION COMPRISING AMINO SILICONE, FATTY ALCOHOL AND PARAFFIN OIL L'OREAL (FR) 2016-07-21 US claimed
EP-3041581-A1 HAIR CARE COMPOSITION COMPRISING AMINO SILICONE, FATTY ALCOHOL AND PARAFFIN OIL L'OREAL (FR) 2016-07-13 EP claimed
WO-2015027302-A1 HAIR CARE COMPOSITION COMPRISING AMINO SILICONE, FATTY ALCOHOL AND PARAFFIN OIL L'OREAL (FR) 2015-03-05 WO claimed
WO-2014091125-A2 COSMETIC COMPOSITION COMPRISING A NONIONIC SURFACTANT, A CATIONIC SURFACTANT, A LIQUID FATTY ESTER AND A PARTICULAR SILICONE, AND COSMETIC TREATMENT METHOD L'OREAL (FR) 2014-06-19 WO claimed
WO-2014009636-A2 COSMETIC COMPOSITION IN FOAM FORM, DEVICE AND COSMETIC TREATMENT METHOD L'OREAL (FR) 2014-01-16 WO claimed
WO-2012113724-A2 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A DIRECT DYE BEARING A DISULFIDE/THIOL FUNCTION, A SPARINGLY OR NON-ETHOXYLATED FATTY ALCOHOL, A CATIONIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT L'OREAL (FR) 2012-08-30 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20160206547-A1 HAIR CARE COMPOSITION COMPRISING AMINO SILICONE, FATTY ALCOHOL AND PARAFFIN OIL KRT18, CUTA, AADAT CES2 2810/4885CES1 3714/4885DNM1 4232/4885
US-11497941-B2 Cosmetic composition comprising an organosilane, a cationic surfactant and a cationic polymer having charge density greater than or equal to 4 meq/g KRT18, DSG1, LAGE3 CES2 3818/4885CES1 2851/4885DNM1 808/4885
US-11413232-B2 Composition comprising the combination of specific alkoxysilanes and of a surfactant MSH2, ERCC5, PMS2 CES2 3601/4885CES1 4150/4885DNM1 4542/4885

“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.