SCHEMBL98889

SCHEMBL98889

CCCCCCCCCCCCCCCCCCC(C(=O)[O-])(C(CC(C)O)(CC(C)O)C(=O)O)[N+](C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.34
GPR84 Q9NQS5 4/20 0.33
FFAR1 O14842 1/20 0.33
CA1 P00915 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL6756058 1.00 CES2 (0.34) CES2GPR84FFAR1CA1MAPT
SCHEMBL98645 0.92 GPR84 (0.33) CES2GPR84FFAR1CA1
SCHEMBL2586062 0.81 DNM1 (0.36) CES2GPR84
SCHEMBL515391 0.81 DNM1 (0.36) CES2GPR84
SCHEMBL11089319 0.80 GPR84 (0.34) CES2GPR84FFAR1CA1
SCHEMBL663117 0.80 LMNA (0.38) CES2
SCHEMBL4902282 0.77 CES2 (0.34) CES2GPR84FFAR1
SCHEMBL4609450 0.76 CES2 (0.36) CES2GPR84FFAR1
SCHEMBL4611396 0.76 CES2 (0.36) CES2GPR84FFAR1
SCHEMBL5180083 0.74 CES2 (0.37) CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3145481-B1 SULFATE-FREE PERSONAL CARE COMPOSITIONS RHODIA OPERATIONS (FR) 2023-04-19 EP claimed
EP-3145481-A1 SULFATE-FREE PERSONAL CARE COMPOSITIONS Rhodia Operations (FR) 2017-03-29 EP claimed
US-20160262377-A1 POLYMER COMPOSITIONS RHODIA OPERATIONS (FR) 2016-09-15 US claimed
US-20150335555-A1 SULFATE-FREE PERSONAL CARE COMPOSITIONS RHODIA OPERATIONS (FR) 2015-11-26 US claimed
WO-2015179599-A1 SULFATE-FREE PERSONAL CARE COMPOSITIONS RHODIA OPERATIONS (FR) 2015-11-26 WO claimed
US-7405188-B2 Polymeric gel system and compositions for treating keratin substrates containing same WSP CHEMICALS & TECHNOLOGY, LLC (US) 2008-07-29 US claimed
EP-1916992-A2 MOISTURIZING COMPOSITIONS Colgate-Palmolive Company (US) 2008-05-07 EP claimed
EP-1119339-B1 STABILIZED SHAMPOO CONTAINING SILOXYSILICATE MATERIAL COLGATE PALMOLIVE CO (US) 2007-09-26 EP claimed
US-20070048235-A1 Moisturizing Compositions COLGATE-PALMOLIVE COMPANY 2007-03-01 US claimed
WO-2007025093-A2 MOISTURIZING COMPOSITIONS COLGATE-PALMOLIVE COMPANY (US) 2007-03-01 WO claimed
US-20050107273-A1 Bar soap composition with reduced bar wear properties COLGATE-PALMOTIVE COMPANY 2005-05-19 US claimed
US-20050074417-A1 Polymeric gel system and compositions for treating keratin substrates containing same WSP CHEMICALS & TECHNOLOGY, LLC (US) 2005-04-07 US claimed
EP-0915693-B1 AN OIL-IN-WATER EMULSION FOR USE ON HUMAN SKIN FOR CLEANSING, PRESERVING OR IMPROVING THE CONDITION OF THE SKIN PLUM KEMI PRODUKTION AS (DK) 2003-10-01 EP claimed
US-6608011-B2 Cleaning compounds comprising mixtures of water, stabilizer agent, buffers, preservatives, anionic, nonionic, amphoteric and cationic surfactants used as hair conditioners, soaps or gels COLGATE-PALMOLIVE COMPANY 2003-08-19 US claimed
US-20030130145-A1 Shampoos with behenyl-alcohol COLGATE-PALMOLIVE COMPANY 2003-07-10 US claimed
US-6197837-B1 Method for fluidizing tars RHODIA INC. 2001-03-06 US claimed
US-5925604-A SHAMPOO OR BEAUTY SOAPS THAT ADD LUSTER AND SHEEN FROM EMULSIFIERS AND SURFACTANTS RHODIA INC. (US) 1999-07-20 US claimed
EP-0915693-A1 AN OIL-IN-WATER EMULSION FOR USE ON HUMAN SKIN FOR CLEANSING, PRESERVING OR IMPROVING THE CONDITION OF THE SKIN Plum Kemi Produktion A/S (DK) 1999-05-19 EP claimed
WO-1998005294-A1 AN OIL-IN-WATER EMULSION FOR USE ON HUMAN SKIN FOR CLEANSING, PRESERVING OR IMPROVING THE CONDITION OF THE SKIN PLUM KEMI PRODUKTION A/S (DK) 1998-02-12 WO claimed
US-5646106-A MIXTURE OF EMULSIFIER, AMPHOTERIC SURFACTANT, NONIONIC ALCOHOL ETHOXYLATE, AND ALKYL OR ALKYL ETHER SULFATE; SHAMPOO, SOAP RHONE-POULENC SPECIALTY CHEMICALS ASIA PACIFIC PTE LTD 1997-07-08 US 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 (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-20150335555-A1 SULFATE-FREE PERSONAL CARE COMPOSITIONS MGAT3, DSG1, SMURF1 CES2 4454/4885GPR84 2685/4885FFAR1 40/4885
US-20030130145-A1 Shampoos with behenyl-alcohol POLR1C, SMURF1, BSG CES2 1534/4885GPR84 2495/4885FFAR1 1469/4885
US-20070048235-A1 Moisturizing Compositions KRT18, H1-0, H1-4 CES2 2379/4885GPR84 2013/4885FFAR1 4074/4885
US-20050074417-A1 Polymeric gel system and compositions for treating keratin substrates containing same KRT18, CUTA, S100A10 CES2 2994/4885GPR84 917/4885FFAR1 2167/4885
US-20050107273-A1 Bar soap composition with reduced bar wear properties DDHD2, SORD, CRABP2 CES2 1660/4885GPR84 3653/4885FFAR1 3848/4885

“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.