SCHEMBL5077560

SCHEMBL5077560

C=C(C)C(=O)NCCC[N+](C)(C)CC(=O)NCC[N+](C)(C)CC(O)C[N+](C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CBLB Q13191 1/20 0.30

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
SCHEMBL1755130 0.97 SLC22A16 (0.31) CBLB
Hydrochloric Acid SCHEMBL14736711 0.96 CBLB (0.30) CBLB
Hydrochloric Acid SCHEMBL14736804 0.96 CBLB (0.30) CBLB
SCHEMBL12985168 0.90 SLC22A16 (0.36) CBLB
Hydrochloric Acid SCHEMBL4369333 0.88 MAPT (0.35) CBLB
SCHEMBL14443964 0.84 SLC22A16 (0.32)
SCHEMBL13591404 0.83 SLC22A16 (0.33) CBLB
SCHEMBL29990375 0.82 CBLB (0.36) CBLB
SCHEMBL15338682 0.81 KDM4E (0.31)
SCHEMBL10337176 0.80 TGFBR1 (0.35) CBLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3157503-A1 STABILITY OF ZINC PYRITHIONE DISPERSIONS The Procter & Gamble Company (US) 2017-04-26 EP claimed
US-20150368443-A1 Stability of Zinc Pyrithione Dispersions THE PROCTER & GAMBLE COMPANY 2015-12-24 US claimed
WO-2015195738-A1 STABILITY OF ZINC PYRITHIONE DISPERSIONS THE PROCTER & GAMBLE COMPANY (US) 2015-12-23 WO claimed
EP-4400092-A2 COMPACT SHAMPOO COMPOSITION WITH AMINO ACID BASED ANIONIC SURFACTANTS AND CATIONIC POLYMERS The Procter & Gamble Company (US) 2024-07-17 EP disclosed
EP-3694481-B1 COMPACT SHAMPOO COMPOSITION WITH AMINO ACID BASED ANIONIC SURFACTANTS AND CATIONIC POLYMERS PROCTER & GAMBLE (US) 2024-06-05 EP disclosed
US-11992540-B2 Sulfate free personal cleansing composition comprising low inorganic salt THE PROCTER & GAMBLE COMPANY (US) 2024-05-28 US disclosed
US-11986543-B2 Rinse-off compositions with a surfactant system that is substantially free of sulfate-based surfactants THE PROCTER & GAMBLE COMPANY (US) 2024-05-21 US disclosed
EP-4355288-A1 HAIR CARE COMPOSITIONS COMPRISING HYDROXYLATED TRIGLYCERIDE OLIGOMERS The Procter & Gamble Company (US) 2024-04-24 EP disclosed
EP-4346750-A1 RINSE-OFF COMPOSITIONS WITH A SURFACTANT SYSTEM THAT IS SUBSTANTIALLY FREE OF SULFATE-BASED SURFACTANTS The Procter & Gamble Company (US) 2024-04-10 EP disclosed
EP-4337161-A1 SHAMPOO COMPOSITIONS CONTAINING A SULFATE-FREE SURFACTANT SYSTEM AND A SCLEROTIUM GUM THICKENER The Procter & Gamble Company (US) 2024-03-20 EP disclosed
US-11932448-B2 Bottle adapted for storing a liquid composition with an aesthetic design suspended therein THE PROCTER & GAMBLE COMPANY (US) 2024-03-19 US disclosed
US-8980239-B2 Personal care compositions and methods of making same THE PROCTER & GAMBLE COMPANY (US) 2015-03-17 US disclosed
US-20150011449-A1 SHAMPOO COMPOSITION COMPRISING LOW VISCOSITY EMULSIFIED SILICONE POLYMERS THE PROCTER & GAMBLE COMPANY (US) 2015-01-08 US disclosed
US-20150011450-A1 Amphoteric Ter-Polymers For Use in Personal Care Compositions THE PROCTER & GAMBLE COMPANY 2015-01-08 US disclosed
US-20140348886-A1 Method of Achieving Improved Product Rheology, Cosmetic Consumer Acceptance and Deposition THE PROCTER & GAMBLE COMPANY (US) 2014-11-27 US disclosed
US-20140335041-A1 SHAMPOO COMPOSITIONS AND METHODS OF MAKING SAME THE PROCTER & GAMBLE COMPANY (US) 2014-11-13 US disclosed
US-20140309154-A1 PERSONAL CARE COMPOSITION COMPRISING A PRE-EMULSIFIED FORMULATION THE PROCTER & GAMBLE COMPANY 2014-10-16 US disclosed
US-20130280192-A1 Hair Care Composition Comprising Metathesized Unsaturated Polyol Esters THE PROCTOR & GAMBLE COMPANY (US) 2013-10-24 US disclosed
US-20130089587-A1 Personal Care Compositions and Methods of Making Same THE PROCTER & GAMBLE COMPANY (US) 2013-04-11 US disclosed
US-20080206355-A1 Composition comprising a particulate zinc material, a pyrithione or a polyvalent metal salt of a pyrithione and a synthetic cationic polymer THE PROCTER & GAMBLE COMPANY 2008-08-28 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 (10 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-20080206355-A1 Composition comprising a particulate zinc material, a pyrithione or a polyvalent metal salt of a pyrithione and a synthetic cationic polymer SLC39A3, SLC39A14, SLC30A7 CBLB 4349/4885
US-20150011450-A1 Amphoteric Ter-Polymers For Use in Personal Care Compositions C3AR1, H1-10, HRH3 CBLB 1779/4885
US-20130280192-A1 Hair Care Composition Comprising Metathesized Unsaturated Polyol Esters EBP, PORCN, PHOSPHO1 CBLB 1584/4885
US-20150011449-A1 SHAMPOO COMPOSITION COMPRISING LOW VISCOSITY EMULSIFIED SILICONE POLYMERS PLOD3, MSMO1, SMURF1 CBLB 1062/4885
US-11986543-B2 Rinse-off compositions with a surfactant system that is substantially free of sulfate-based surfactants DEGS1, SGMS2, DSG1 CBLB 677/4885
US-20140335041-A1 SHAMPOO COMPOSITIONS AND METHODS OF MAKING SAME CUTA, PSAP, PPP1CC CBLB 1051/4885
US-11992540-B2 Sulfate free personal cleansing composition comprising low inorganic salt PHOSPHO1, SPG11, DSG1 CBLB 3138/4885
US-20140348886-A1 Method of Achieving Improved Product Rheology, Cosmetic Consumer Acceptance and Deposition POLR1C, PIK3C3, CUTA CBLB 4402/4885
US-20140309154-A1 PERSONAL CARE COMPOSITION COMPRISING A PRE-EMULSIFIED FORMULATION PHOSPHO1, POLR1C, CUTA CBLB 3083/4885
US-20130089587-A1 Personal Care Compositions and Methods of Making Same C9, POLR1C, C1R CBLB 1166/4885

“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.