SCHEMBL457736

SCHEMBL457736

CCCCCCCCCCCCCCCCCC(=O)C(CN(C)CCO)C(=O)CCCCCCCCCCCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.46
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
GGPS1 O95749 3/20 0.42
DNM1 Q05193 1/20 0.41
CNR1 P21554 1/20 0.40
MEN1 O00255 1/20 0.40
FAAH O00519 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL457767 1.00 CES2 (0.46) CES2THRATHRBGGPS1DNM1
Hydrochloric Acid SCHEMBL17294135 0.98 CES2 (0.44) CES2THRATHRBGGPS1DNM1
Sulfuric Acid SCHEMBL28412565 0.94 CES2 (0.41) CES2THRATHRBGGPS1DNM1
Sulfuric Acid SCHEMBL28748105 0.94 CES2 (0.41) CES2THRATHRBGGPS1DNM1
Hydrochloric Acid SCHEMBL29047799 0.90 CNR1 (0.52) CNR1MEN1FAAHKMT2A
SCHEMBL16515967 0.90 DNM1 (0.41) CES2THRATHRBDNM1
SCHEMBL28334151 0.89 CES2 (0.37) CES2THRATHRBGGPS1DNM1
SCHEMBL5940755 0.89 CES2 (0.37) CES2THRATHRBGGPS1DNM1
Sulfuric Acid SCHEMBL28836712 0.87 CNR1 (0.49) CNR1MEN1FAAHKMT2A
Sulfuric Acid SCHEMBL28836708 0.87 CNR1 (0.49) CNR1MEN1FAAHKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3091958-A1 COSMETIC COMPOSITION COMPRISING CATIONIC SURFACTANT(S), ANTIDANDRUFF AGENT(S), LIQUID NON-SILICEOUS FATTY SUBSTANCE(S), AND NON-POLYMERIC THICKENING AGENT(S) L'OREAL (FR) 2016-11-16 EP claimed
US-20150174025-A1 COMPOSITION COMPRISING ELLAGIC ACID AND A PARTICULAR CATIONIC SURFACTANT, AND COSMETIC USE THEREOF OREAL (FR) 2015-06-25 US claimed
WO-2015085376-A1 COSMETIC COMPOSITION COMPRISING CATIONIC SURFACTANT(S), ANTIDANDRUFF AGENT(S), LIQUID NON-SILICEOUS FATTY SUBSTANCE(S), AND NON-POLYMERIC THICKENING AGENT(S) L'OREAL (FR) 2015-06-18 WO claimed
US-8905049-B2 Process for treating keratin fibres using a non-detergent cosmetic composition comprising at least one calcium salt L'OREAL (FR) 2014-12-09 US claimed
EP-2775998-A2 NOURISHING HAIR TREATMENT COMPOSITION Henkel AG&Co. KGAA (DE) 2014-09-17 EP claimed
US-20130319447-A1 PROCESS FOR TREATING KERATIN FIBRES USING A NON-DETERGENT COSMETIC COMPOSITION COMPRISING AT LEAST ONE CALCIUM SALT L'OREAL (FR) 2013-12-05 US claimed
WO-2013068172-A2 NOURISHING HAIR TREATMENT COMPOSITION HENKEL AG & CO. KGAA (DE) 2013-05-16 WO claimed
US-20130109746-A1 COMPOSITION COMPRISING ELLAGIC ACID AND A PARTICULAR CATIONIC SURFACTANT, AND COSMETIC USE THEREOF L'OREAL S.A. (FR) 2013-05-02 US claimed
EP-2542213-A2 COMPOSITION COMPRISING ELLAGIC ACID (OR ETHER/SALT) AND A SPECIFIC CATIONIC SURFACTANT, AND COSMETIC USE THEREOF L'Oréal (FR) 2013-01-09 EP claimed
WO-2011107432-A2 COMPOSITION COMPRISING ELLAGIC ACID AND A PARTICULAR CATIONIC SURFACTANT, AND COSMETIC USE THEREOF L'OREAL (FR) 2011-09-09 WO 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
US-20060293197-A1 Conditioning compositions comprising coacervate and conditioning agent THE PROCTER & GAMBLE COMPANY 2006-12-28 US disclosed
US-20060293213-A1 Clear conditioning compositions comprising coacervate THE PROCTER & GAMBLE COMPANY 2006-12-28 US disclosed
EP-1244420-A1 HAIR AND SKIN CARE AGENTS Henkel Kommanditgesellschaft auf Aktien (DE) 2002-10-02 EP disclosed
WO-2001047480-A1 HAIR AND SKIN CARE AGENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-07-05 WO disclosed
EP-0747468-A1 Aqueous softeners for the treatment of textiles Wella Aktiengesellschaft (DE) 1996-12-11 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-20150174025-A1 COMPOSITION COMPRISING ELLAGIC ACID AND A PARTICULAR CATIONIC SURFACTANT, AND COSMETIC USE THEREOF PRKDC, KRT18, SMURF1 CES2 1562/4885THRA 4105/4885THRB 4684/4885
US-20260137607-A1 COMPOSITION COMPRISING THE COMBINATION OF TWO PARTICULAR OXIDATION DYE PRECURSORS AND A FATTY ACID ESTER OF GLYCEROL KRT18, FABP4, HSD17B4 CES2 1148/4885THRA 1939/4885THRB 1122/4885
US-12622853-B2 Composition comprising a particular oxidation dye precursor and a particular amino silicone KRT18, SCNN1B, PLOD3 CES2 2407/4885THRA 1001/4885THRB 338/4885
US-20130109746-A1 COMPOSITION COMPRISING ELLAGIC ACID AND A PARTICULAR CATIONIC SURFACTANT, AND COSMETIC USE THEREOF PRKDC, KRT18, S100A10 CES2 1733/4885THRA 4290/4885THRB 4765/4885
US-20130319447-A1 PROCESS FOR TREATING KERATIN FIBRES USING A NON-DETERGENT COSMETIC COMPOSITION COMPRISING AT LEAST ONE CALCIUM SALT KRT18, DSG1, DSC1 CES2 3572/4885THRA 2969/4885THRB 3667/4885

“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.