SCHEMBL1304197

SCHEMBL1304197

CCCCCCCCCCCCCCCCCC(=O)NC(C)[N+](C)(C)C(C)(CCCS(=O)(=O)O)C(=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPK1 P28482 1/20 0.42
CPT2 P23786 1/20 0.41
CPT1A P50416 1/20 0.41
CPT1B Q92523 1/20 0.41
LMNA P02545 2/20 0.37
POLB P06746 2/20 0.37
GRK2 P25098 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DNM1 Q05193 1/20 0.36
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
PLA2G10 O15496 2/20 0.34
NOD1 Q9Y239 1/20 0.34
PLA2G2C Q5R387 1/20 0.34
ASAH2 Q9NR71 1/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34

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
SCHEMBL1303483 0.80 FAAH (0.47) FAAHMEN1KMT2AMAPK1CPT2
SCHEMBL98039 0.80 CA2 (0.37) MEN1KMT2ALMNAPOLBGRK2
SCHEMBL8983862 0.80 CA2 (0.37) MEN1KMT2ALMNAPOLBGRK2
SCHEMBL9188125 0.80 CA2 (0.37) MEN1KMT2ALMNAPOLBGRK2
SCHEMBL1304438 0.80 FAAH (0.47) FAAHMEN1KMT2AMAPK1CPT2
SCHEMBL3829582 0.77 CA2 (0.36)
SCHEMBL99789 0.74 CA2 (0.38) MEN1KMT2ALMNAPOLBGRK2
SCHEMBL11449224 0.74 EPHX2 (0.39) MEN1KMT2ACPT2CPT1ACPT1B
SCHEMBL16266150 0.74 EPHX2 (0.39) MEN1KMT2ACPT2CPT1ACPT1B
SCHEMBL1304102 0.74 CPT2 (0.38) FAAHMEN1KMT2AMAPK1CPT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765912-B1 PYRROLIDONE-CARBOXYLIC MODIFIED POLYSILOXANES HAVING AQUEOUS AND DETERGENT SOLUBILITIES AND WATER-IN-OIL EMULSION CAPABILITY CRODA AMERICAS LLC (US) 2015-03-25 EP disclosed
EP-2222393-B1 METHOD FOR PRODUCING OIL-IN-WATER EMULSIONS FROM SELF-EMULSIFYING GEL CONCENTRATES SASOL GERMANY GMBH (DE) 2014-09-10 EP disclosed
EP-2222394-B1 METHOD OF PRODUCING WAX IN WATER DISPERSIONS OF SELF-EMULSIFYING GEL CONCENTRATES SASOL GERMANY GMBH (DE) 2013-11-13 EP disclosed
US-8053513-B2 enhanced water and detergent solubility with increased number of pyrrolidone groups in the polysiloxane; reacting itaconic acid with a polysiloxane having an aminoalkylsilandiol monomer; enhanced compatibility with electrolyte, silicone oil and hydrocarbons, and cleansing properties; sunscreen UNIQEMA AMERICAS LLC (US) 2011-11-08 US disclosed
US-20080138301-A1 Pyrrolidone-Carboxylic Modified Polysiloxanes Having Aqueous and Detergent Solubilities and Water-In-Oil Emulsion Capability CRODA UNIQEMA INC. (US) 2008-06-12 US disclosed
EP-1395644-B1 MIXED POLYALKYLENE GLYCOL HYDROXYALKYL ISOSTEARAMIDES AS RHEOLOGY ADJUVANTS CRODA UNIQEMA INC (US) 2008-06-04 EP disclosed
US-20070277906-A1 Water-Based Metal Treatment Composition MIDDLESEX SILVER CO., LIMITED (GB) 2007-12-06 US disclosed
US-7214650-B2 Detergent compositions comprising polymeric suds enhancers which have improved mildness and skin feel THE PROCTER & GAMBLE CO. (US) 2007-05-08 US disclosed
EP-1765912-A1 PYRROLIDONE-CARBOXYLIC MODIFIED POLYSILOXANES HAVING AQUEOUS AND DETERGENT SOLUBILITIES AND WATER-IN-OIL EMULSION CAPABILITY Croda Uniqema Inc (US) 2007-03-28 EP disclosed
US-20070039665-A1 Enhancing silver tarnish-resistance MIDDLESEX SILVER CO. LIMITED (GB) 2007-02-22 US disclosed
WO-1997014396-A1 CONDITIONING SHAMPOO COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-04-24 WO disclosed
US-5607678-A COMPRISING ANIONIC AND AMPHOTERIC SURFACTANTS; IMPROVED LATHERING AND RINSING THE PROCTER & GAMBLE COMPANY (US) 1997-03-04 US disclosed
EP-0730442-A1 ULTRA MILD LATHERING PERSONAL CLEANSING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1996-09-11 EP disclosed
WO-1996021426-A1 THREE IN ONE ULTRA MILD LATHERING ANTIBACTERIAL LIQUID PERSONAL CLEANSING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1996-07-18 WO disclosed
EP-0706366-A1 CONDITIONING SHAMPOOS CONTAINING POLYVALENT METAL CATIONS THE PROCTER & GAMBLE COMPANY (US) 1996-04-17 EP disclosed
WO-1996005798-A1 MILD SHOWER GEL COMPOSITION COMPRISING FATTY ALCOHOL WHICH IMPARTS IMPROVED LATHERING AND THICKENING PROPERTIES THE PROCTER & GAMBLE COMPANY (US) 1996-02-29 WO disclosed
WO-1995015150-A2 ULTRA MILD LATHERING PERSONAL CLEANSING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1995-06-08 WO disclosed
WO-1995001152-A1 CONDITIONING SHAMPOOS CONTAINING POLYVALENT METAL CATIONS THE PROCTER & GAMBLE COMPANY (US) 1995-01-12 WO disclosed
WO-1994005256-A1 MILD, SUBSTANTIALLY COLORLESS SHAMPOO COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1994-03-17 WO disclosed
US-3950417-A A BETAINE AMPHOTERIC SURFACTANT, ANIONIC SURFACTANTS, NONIONIC SURFACTANTS JOHNSON & JOHNSON (US) 1976-04-13 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 (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-20080138301-A1 Pyrrolidone-Carboxylic Modified Polysiloxanes Having Aqueous and Detergent Solubilities and Water-In-Oil Emulsion Capability COPE, PLOD1, ELOVL1 FAAH 358/4885MEN1 4266/4885KMT2A 2458/4885

“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.