SCHEMBL456096

SCHEMBL456096

Cc1ccc(NCCCO)cc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 1/20 0.46
TUBA1C Q9BQE3 1/20 0.46
TUBB6 Q9BUF5 1/20 0.46
TUBB2B Q9BVA1 1/20 0.46
TUBB1 Q9H4B7 1/20 0.46

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
SCHEMBL30202433 1.00 ALDH1A1 (0.67) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL95129 0.89 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29428385 0.89 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5715031 0.87 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5809528 0.86 ALDH1A1 (0.67) ALDH1A1BCL2L1MCL1MAPTHTT
SCHEMBL11113125 0.85 ALDH1A1 (0.89) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL15933382 0.85 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL27494174 0.83 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6855890 0.82 TUBB4A (0.47) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5715034 0.82 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19

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 1589 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1870084-B1 Composition for dyeing keratin fibres comprising 2,3-diamino-6,7-dihydro-1H,5H-pyrazolo[1,2-a]pyrazol-1-one, 6-chloro 2-methyl 5-aminophenol and a substituted meta-aminophenol ORÉAL L (FR) 2015-07-22 EP claimed
EP-1870085-B1 Composition for dyeing keratinous fibres comprising 2,3-diamino-6,7-dihydro-1H,5H-pyrazolo[1,2-a]pyrazol-1-one, para-phenylenediamine or para-toluenediamine and a substituted meta-aminophenol ORÉAL L (FR) 2015-07-22 EP claimed
EP-0850636-B2 Composition for the oxidative dyeing of keratinic fibres and dyeing process using this composition OREAL (FR) 2013-11-20 EP claimed
EP-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 EP claimed
US-8043385-B2 Composition oxidation colouring of keratinic fibres, containing a cationic cellulose ether, a metasilicate and oxidation dyes, method for oxidation colouring and uses thereof L'OREAL S.A. (FR) 2011-10-25 US claimed
JP-4785024-B2 2011-10-05 JP claimed
US-8002847-B2 Composition for oxidation dyeing keratin fibres comprising a cationic cellulose ether, a weakly oxyethylenated sorbitan fatty acid ester and oxidation dyes L 'OREAL S.A. (FR) 2011-08-23 US claimed
US-20100275388-A1 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES L'OREAL S.A. (FR) 2010-11-04 US claimed
US-20100263138-A1 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF L'OREAL S.A. (FR) 2010-10-21 US claimed
EP-1494995-B1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS PROCTER & GAMBLE (US) 2010-09-22 EP claimed
WO-1998023246-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBERS CONTAINING 2-FLUORO 4-AMINOPHENOL, A META-AMINOPHENOL AND/OR A META-PHENYLENEDIAMINE AND DYEING METHOD USING SUCH A COMPOSITION L'OREAL (FR) 1998-06-04 WO claimed
WO-1998017233-A1 DYEING AGENT FOR DYEING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 1998-04-30 WO claimed
CN-1178104-A Compositions for oxidation dyeing of keratin fibres and dyeing process using them OREAL (FR) 1998-04-08 CN claimed
US-5735909-A Compositions and processes for the oxidation dyeing of keratin fibres with an oxidation base, a meta-aminophenol coupler, and a 6-hydroxyindoline coupler L'OREAL (FR) 1998-04-07 US claimed
EP-0819424-A1 Oxidative hair dye composition and the dyeing process using such a composition L'OREAL (FR) 1998-01-21 EP claimed
EP-0819423-A1 Composition for the oxydative dyeing of keratinic fibers and dyeing process applying them L'OREAL (FR) 1998-01-21 EP claimed
WO-1997011674-A1 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES, AND DYEING METHOD USING SAME L'OREAL (FR) 1997-04-03 WO claimed
EP-0728465-B1 Composition for dyeing keratinous fibers comprising a meta-aminophenol and 6-hydroxyindoline, and dyeing process using such a composition OREAL (FR) 1997-03-19 EP claimed
EP-0728465-A1 Composition for dyeing keratinous fibers comprising a meta-aminophenol and 6-hydroxyindoline, and dyeing process using such a composition L'OREAL (FR) 1996-08-28 EP claimed
CN-1109737-A Composition forthe oxidation dyeingof keratinous fiberes comprising a para-phenylenediamine containinga primary, secondary or tertiary amine function, a meta-phenylenediamine and a para-aminopheno.... OREAL (FR) 1995-10-11 CN 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 (2 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-20100275388-A1 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES KRT18, KRTCAP2, FASN ALDH1A1 1792/4885CYP1A2 1251/4885CYP2D6 2085/4885
US-20100263138-A1 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF KRT18, TUBB3, VIM ALDH1A1 1691/4885CYP1A2 814/4885CYP2D6 1259/4885

“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.