SCHEMBL1628809

SCHEMBL1628809

CCCCCCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCN(CCO)CCO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
TSHR P16473 2/20 0.52
PAOX Q6QHF9 1/20 0.47
S1PR2 O95136 5/20 0.44
S1PR4 O95977 5/20 0.44
S1PR1 P21453 5/20 0.44
S1PR3 Q99500 5/20 0.44
S1PR5 Q9H228 1/20 0.44
LMNA P02545 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM5A P29375 2/20 0.40
PHF8 Q9UPP1 2/20 0.40
KDM4C Q9H3R0 1/20 0.40
NAAA Q02083 1/20 0.40
EPHX1 P07099 2/20 0.39
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39

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
SCHEMBL10988487 0.98 ALDH1A1 (0.54) ALDH1A1TSHRPAOXS1PR2S1PR4
SCHEMBL25506915 0.96 TSHR (0.48) ALDH1A1TSHRPAOXS1PR2S1PR4
SCHEMBL6722890 0.92 ALDH1A1 (0.62) ALDH1A1TSHRPAOXS1PR2S1PR4
SCHEMBL5703952 0.92 ALDH1A1 (0.62) ALDH1A1TSHRPAOXS1PR2S1PR4
SCHEMBL11799766 0.92 ALDH1A1 (0.62) ALDH1A1TSHRPAOXS1PR2S1PR4
SCHEMBL20561984 0.90 ALDH1A1 (0.50) ALDH1A1TSHRPAOXS1PR2S1PR4
SCHEMBL29286822 0.90 ALDH1A1 (0.48) ALDH1A1TSHRPAOXS1PR2S1PR4
SCHEMBL29286841 0.90 ALDH1A1 (0.48) ALDH1A1TSHRPAOXS1PR2S1PR4
SCHEMBL10988578 0.90 ALDH1A1 (0.48) ALDH1A1TSHRPAOXS1PR2S1PR4
SCHEMBL626029 0.89 TSHR (0.65) ALDH1A1TSHRPAOXS1PR2S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3281619-B1 SHAMPOO CONTAINING A GEL NETWORK PROCTER & GAMBLE (US) 2021-01-20 EP disclosed
US-10130567-B2 Oral compositions containing gel networks THE PROCTER & GAMBLE COMPANY (US) 2018-11-20 US disclosed
US-20180133118-A1 Oral Compositions Containing Gel Networks PROCTER & GAMBLE (US) 2018-05-17 US disclosed
EP-3281619-A1 SHAMPOO CONTAINING A GEL NETWORK The Procter & Gamble Company (US) 2018-02-14 EP disclosed
EP-3013309-B1 A STAIN-PROOF ORAL CARE COMPOSITION PROCTER & GAMBLE (US) 2017-12-27 EP disclosed
EP-2068816-B1 ORAL COMPOSITIONS CONTAINING GEL NETWORKS PROCTER & GAMBLE (US) 2017-11-08 EP disclosed
US-20170216158-A1 Oral Compositions Containing Gel Networks PROCTER & GAMBLE (US) 2017-08-03 US disclosed
US-9655819-B2 Oral compositions containing gel networks THE PROCTER & GAMBLE COMPANY (US) 2017-05-23 US disclosed
EP-3127583-A1 A METHOD OF DEMONSTRATING STAIN-PROOF EFFICACY OF AN ORAL CARE COMPOSITION The Procter and Gamble Company (US) 2017-02-08 EP disclosed
US-20160287489-A1 Oral Compositions Containing Gel Networks PROCTER & GAMBLE (US) 2016-10-06 US disclosed
US-8361449-B2 Detersive surfactant, a fatty alcohol in a solid crystalline gel phase dispersed in the shampoo; aqueous carrier; conditioner THE PROCTER & GAMBLE COMPANY (US) 2013-01-29 US disclosed
US-8349301-B2 Mixture of surfactants, fatty amphiphiles and aqueous carrier THE PROCTER & GAMBLE COMPANY (US) 2013-01-08 US disclosed
US-20110089073-A1 Methods And Compositions For Hydrophobic Modification Of Oral Cavity Surfaces THE PROCTER & GAMBLE COMPANY (US) 2011-04-21 US disclosed
EP-2068816-A2 ORAL COMPOSITIONS CONTAINING GEL NETWORKS The Procter and Gamble Company (US) 2009-06-17 EP disclosed
EP-1924237-A1 SHAMPOO CONTAINING A GEL NETWORK The Procter and Gamble Company (US) 2008-05-28 EP disclosed
WO-2008042279-A2 ORAL COMPOSITIONS CONTAINING GEL NETWORKS THE PROCTER & GAMBLE COMPANY (US) 2008-04-10 WO disclosed
US-20080081023-A1 for desired rheology; comprising: i) fatty amphiphiles; ii) secondary surfactants; and iii) solvents; and b) an oral carrier phase; toothpaste, dentifrice, tooth gel; mouth rinse PROCTER & GAMBLE COMPANY, THE 2008-04-03 US disclosed
US-20070110700-A1 Shampoo containing a gel network PROCTER & GAMBLE COMPANY, THE 2007-05-17 US disclosed
WO-2007040571-A1 SHAMPOO CONTAINING A GEL NETWORK THE PROCTER & GAMBLE COMPANY (US) 2007-04-12 WO disclosed
US-20060024256-A1 Mixture of surfactants, fatty amphiphiles and aqueous carrier PROCTER & GAMBLE COMPANY, THE 2006-02-02 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 (8 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-20060024256-A1 Mixture of surfactants, fatty amphiphiles and aqueous carrier FABP4, SGMS2, SGMS1 ALDH1A1 4425/4885TSHR 4246/4885PAOX 4/4885
US-20110089073-A1 Methods And Compositions For Hydrophobic Modification Of Oral Cavity Surfaces PTMS, TAS2R39, CASP3 ALDH1A1 4358/4885TSHR 1071/4885PAOX 3395/4885
US-20160287489-A1 Oral Compositions Containing Gel Networks FABP2, FASN, COG7 ALDH1A1 2954/4885TSHR 4851/4885PAOX 469/4885
US-20180133118-A1 Oral Compositions Containing Gel Networks FABP2, FASN, COG7 ALDH1A1 2954/4885TSHR 4851/4885PAOX 469/4885
US-20080081023-A1 for desired rheology; comprising: i) fatty amphiphiles; ii) secondary surfactants; and iii) solvents; and b) an oral carrier phase; toothpaste, dentifrice, tooth gel; mouth rinse TAS2R30, TAS2R43, TAS2R31 ALDH1A1 3231/4885TSHR 4358/4885PAOX 716/4885
US-20170216158-A1 Oral Compositions Containing Gel Networks FABP2, FASN, COG7 ALDH1A1 2954/4885TSHR 4851/4885PAOX 469/4885
US-20070110700-A1 Shampoo containing a gel network POLR1C, POLQ, POLN ALDH1A1 4118/4885TSHR 4482/4885PAOX 8/4885
US-10130567-B2 Oral compositions containing gel networks FABP2, FASN, COG7 ALDH1A1 2954/4885TSHR 4851/4885PAOX 469/4885

“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.