SCHEMBL540786

SCHEMBL540786

CCCCCNCCCN1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.62
HPGD P15428 1/20 0.51
DUSP3 P51452 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MAPK1 P28482 2/20 0.50
CYP1A2 P05177 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
HTR2A P28223 1/20 0.50
SCN1A P35498 1/20 0.50
HTR2B P41595 1/20 0.50
KCNH2 Q12809 1/20 0.50
SCN2A Q99250 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
SCN3A Q9NY46 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
CYP2C19 P33261 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
LMNA P02545 3/20 0.49

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
SCHEMBL169004 0.98 PAOX (0.65) PAOXHPGDDUSP3ALDH1A1MAPK1
SCHEMBL20966331 0.98 PAOX (0.65) PAOXHPGDDUSP3ALDH1A1MAPK1
SCHEMBL2238005 0.94 PAOX (0.59) PAOXHPGDDUSP3ALDH1A1MAPK1
SCHEMBL18995662 0.91 PAOX (0.56) PAOXHPGDDUSP3ALDH1A1MAPK1
SCHEMBL26941306 0.91 PAOX (0.56) PAOXHPGDDUSP3ALDH1A1MAPK1
SCHEMBL18513274 0.91 PAOX (0.56) PAOXHPGDDUSP3ALDH1A1MAPK1
SCHEMBL7326838 0.91 PAOX (0.56) PAOXHPGDDUSP3ALDH1A1MAPK1
SCHEMBL3200520 0.91 PAOX (0.59) PAOXHPGDDUSP3ALDH1A1MAPK1
SCHEMBL721355 0.88 PAOX (0.64) PAOXHPGDDUSP3ALDH1A1MAPK1
SCHEMBL31617036 0.87 ALDH1A1 (0.50) PAOXHPGDDUSP3ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3035907-B1 COSMETIC COMPOSITION COMPRISING AMINO SILICONES, CATIONIC SURFACTANTS AND SPECIFIC ESTERS AND A PROCESS FOR A COSMETIC TREATMENT OREAL (FR) 2019-04-03 EP claimed
EP-1707183-B2 Dye composition comprising a non-ionic associative polymer, process for dyeing keratin fibres using same OREAL (FR) 2018-04-25 EP claimed
EP-2677995-B1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A DIRECT DYE BEARING A DISULFIDE/THIOL FUNCTION, A NONIONIC SURFACTANT, AN AMPHOTERIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT L'ORÉAL (FR) 2017-04-26 EP claimed
EP-2074983-B1 Method for preparing a cationic nanoemulsion and cosmetic composition L'ORÉAL (FR) 2017-03-15 EP claimed
EP-1674075-B1 Hair colouring process comprising a cleaning step ORÉAL L (FR) 2016-07-20 EP claimed
EP-1707182-B2 Dye composition comprising a fatty acid ester and process for dyeing keratin fibres using the same ORÉAL L (FR) 2014-09-10 EP claimed
EP-1707182-B1 Dye composition comprising a fatty acid ester and process for dyeing keratin fibres using the same OREAL (FR) 2010-10-20 EP claimed
EP-1707190-B1 Dye composition comprising a hydrophobically modified nonionic cellulose and method for dyeing keratin fibres using it OREAL (FR) 2010-10-20 EP claimed
EP-2196181-A2 Cosmetic composition comprising at least one ortho-diphenol, one metal salt, hydrogen peroxide, (bi)carbonate and a surface-active agent, and dyeing method based on the composition L'Oreal (FR) 2010-06-16 EP claimed
EP-1707183-B1 Dye composition comprising a non-ionic associative polymer, process for dyeing keratin fibres using same OREAL (FR) 2010-03-03 EP claimed
EP-1674075-A1 Colored hair treating process with a composition comprising a specific non ionic surfactant and use to protect the coloration L'OREAL (FR) 2006-06-28 EP claimed
WO-2006013270-A2 COSMETIC COMPOSITIONS CONTAINING AT LEAST ONE SURFACTANT AND AT LEAST ONE ETHYLENE COPOLYMER WITH POLYETHYLENE GLYCOL GRAFTS L'ORÉAL (FR) 2006-02-09 WO claimed
WO-2005092275-A1 COSMETIC COMPOSITION COMPRISING A DENDRITIC POLYMER WITH PERIPHERAL FATTY CHAINS, A SURFACTANT AND A COSMETIC AGENT, AND USES THEREOF L'OREAL (FR) 2005-10-06 WO claimed
EP-1438951-A1 Ready-to-use bleaching compositions, preparation process thereof and bleaching process therewith L'OREAL (FR) 2004-07-21 EP claimed
EP-1430867-A1 Process to prepare a cationic nanoemulsion, and cosmetic composition. L'OREAL (FR) 2004-06-23 EP claimed
US-6692539-B2 Cationic or amphoteric polymer whose cationic charge density is greater than or equal to 2 meq/gram. L'OREAL (FR) 2004-02-17 US claimed
US-20030172473-A1 Composition useful for the oxidation dyeing of keratin fibres, containing an oxyalkylenated carboxylic acid ether, a nonionic surfactant and a particular polymer L'OREAL (FR) 2003-09-18 US claimed
EP-1329216-A1 Composition for oxidative dyeing of keratinous fibers containing an oxyalkylene ether carboxylic acid, a non-ionic surfactant and a particulate polymer L'OREAL (FR) 2003-07-23 EP claimed
EP-1152735-A1 COSMETIC COMPOSITIONS CONTAINING A QUATERNARY SILICON AND A PEARLING AGENT AND THEIR USES L'OREAL (FR) 2001-11-14 EP claimed
WO-2001041719-A1 COSMETIC COMPOSITIONS CONTAINING A QUATERNARY SILICON AND A PEARLING AGENT AND THEIR USES L'OREAL (FR) 2001-06-14 WO 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 (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-20030172473-A1 Composition useful for the oxidation dyeing of keratin fibres, containing an oxyalkylenated carboxylic acid ether, a nonionic surfactant and a particular polymer KRT18, KRTCAP2, CUTA PAOX 916/4885HPGD 1011/4885DUSP3 3180/4885

“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.