SCHEMBL457603

SCHEMBL457603

CCCCCCCCCCCCCCCCCC(=O)[N+](CC)(CCO)C(=O)CCCCCCCCCCCCCCCCC

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
SCHEMBL455072 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 233 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119698458-A Improvements in or relating to organic compounds improvements relating to organic compounds 诺维信公司 2025-03-25 CN claimed
EP-4060054-B1 PRODUCTS FOR THE TANNING OF LEATHERS, PRE-TANNING PRODUCTS AND USE THEREOF SILVATEAM S P A (IT) 2023-11-15 EP claimed
CN-117015593-A Use of enzymes for improving fragrance deposition 诺维信公司 2023-11-07 CN 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
US-20260137607-A1 COMPOSITION COMPRISING THE COMBINATION OF TWO PARTICULAR OXIDATION DYE PRECURSORS AND A FATTY ACID ESTER OF GLYCEROL LOREAL (FR) 2026-05-21 US disclosed
US-12622853-B2 Composition comprising a particular oxidation dye precursor and a particular amino silicone L'OREAL (FR) 2026-05-12 US disclosed
EP-4262716-B1 COMPOSITION COMPRISING A PARTICULAR OXIDATION DYE PRECURSOR AND A PARTICULAR CARBOXYLIC ACID OREAL (FR) 2026-05-06 EP disclosed
EP-4262720-B1 COMPOSITION COMPRISING TWO PARTICULAR OXIDATION DYE PRECURSORS, AND A PARTICULAR CARBOXYLIC ACID OREAL (FR) 2026-05-06 EP disclosed
EP-4262691-B1 COSMETIC COMPOSITION COMPRISING A COMBINATION OF TWO PARTICULAR COUPLERS AND N,N-DICARBOXYMETHYLGLUTAMIC ACID AND/OR ITS SALTS OREAL (FR) 2026-04-08 EP disclosed
EP-4262689-B1 COMPOSITION COMPRISING A PARTICULAR OXIDATION DYEING BASE, AT LEAST ONE GUAR GUM AND AT LEAST ONE FATTY SUBSTANCE OREAL (FR) 2026-04-08 EP disclosed
US-12589063-B2 Composition comprising a combination of two particular oxidation dye precursors, an amphoteric or zwitterionic surfactant and a solid fatty substance L'OREAL (FR) 2026-03-31 US disclosed
US-12569420-B2 Composition comprising a particular oxidation dyeing base and at least two particular couplers L'ORÉAL (FR) 2026-03-10 US disclosed
WO-2011117403-A2 COMPOSITION COMPRISING A SILICONE COPOLYMER, A SILICONE SURFACTANT AND A NON-VOLATILE PDMS, COSMETIC TREATMENT METHOD AND USE. L'ORÉAL (FR) 2011-09-29 WO disclosed
US-20110168200-A1 COSMETIC COMPOSITION COMPRISING AT LEAST ONE TYPE OF HOLLOW PARTICLE, AT LEAST ONE STARCH AND AT LEAST ONE CATIONIC SURFACTANT L'OREAL S.A (FR) 2011-07-14 US disclosed
EP-2338468-A1 Cosmetic composition comprising at least one volatile linear alkane, at least one cationic surfactant whereby the two components are in a specific ratio L'Oréal (FR) 2011-06-29 EP disclosed
EP-2338469-A1 Use of a cosmetic composition containing a linear volatile alcane and an associative non-ionic polymer for conditioning the hair L'Oréal (FR) 2011-06-29 EP disclosed
EP-2322136-A1 Cosmetic hair-conditioner composition containing a mixture of hollow particles, starch and a cationic surfactant L'Oréal (FR) 2011-05-18 EP disclosed
EP-2322135-A1 Cosmetic composition including a structuring agent, an absorbent agent and a surfactant for application to keratin materials L'Oréal (FR) 2011-05-18 EP disclosed
US-20090123397-A1 Microbiocidal compositions THOR SPECIALITIES (UK) LIMITED (GB) 2009-05-14 US disclosed
EP-2000122-A2 Microbiocidal composition Thor Specialities (UK) Lmited (GB) 2008-12-10 EP 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 (5 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-12589063-B2 Composition comprising a combination of two particular oxidation dye precursors, an amphoteric or zwitterionic surfactant and a solid fatty substance S100P, KRT18, S100A4 CES2 1530/4885CES1 1430/4885DNM1 3998/4885
US-12569420-B2 Composition comprising a particular oxidation dyeing base and at least two particular couplers KRT18, COL1A1, S100P CES2 2373/4885CES1 3086/4885DNM1 4434/4885
US-20260137607-A1 COMPOSITION COMPRISING THE COMBINATION OF TWO PARTICULAR OXIDATION DYE PRECURSORS AND A FATTY ACID ESTER OF GLYCEROL KRT18, FABP4, HSD17B4 CES2 1148/4885CES1 1336/4885DNM1 3974/4885
US-12622853-B2 Composition comprising a particular oxidation dye precursor and a particular amino silicone KRT18, SCNN1B, PLOD3 CES2 2407/4885CES1 4065/4885DNM1 4570/4885
US-20110168200-A1 COSMETIC COMPOSITION COMPRISING AT LEAST ONE TYPE OF HOLLOW PARTICLE, AT LEAST ONE STARCH AND AT LEAST ONE CATIONIC SURFACTANT SGMS1, LIPA, SGMS2 CES2 829/4885CES1 534/4885DNM1 1667/4885

“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.