SCHEMBL458849

SCHEMBL458849

Nc1ccc(NCCN(CCO)CCO)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.41
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 2/20 0.38
SLC22A2 O15244 1/20 0.38
SLC22A1 O15245 1/20 0.38
TSHR P16473 1/20 0.38
ACHE P22303 1/20 0.38
CYP2C19 P33261 1/20 0.38
BLM P54132 2/20 0.37
PMP22 Q01453 1/20 0.37
MAPT P10636 3/20 0.35
RAB9A P51151 1/20 0.35
EGFR P00533 3/20 0.34
PRSS1 P07477 5/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
F2 P00734 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33

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
Hydrochloric Acid SCHEMBL2849841 0.98 APP (0.40) APPLMNAALDH1A1MAPK1SLC22A2
Hydrochloric Acid SCHEMBL3861963 0.98 APP (0.40) APPLMNAALDH1A1MAPK1SLC22A2
SCHEMBL13050090 0.92 LMNA (0.40) APPLMNAALDH1A1MAPK1SLC22A2
SCHEMBL9643514 0.91 ALDH1A1 (0.41) APPLMNAALDH1A1MAPK1BLM
SCHEMBL3857753 0.88 PRSS1 (0.42) APPLMNAALDH1A1MAPK1ACHE
SCHEMBL484008 0.81 TDP1 (0.40) APPLMNAALDH1A1MAPK1TSHR
SCHEMBL33766 0.80 APP (0.48) APPLMNAALDH1A1CYP2C19MAPT
SCHEMBL4006637 0.79 ALDH1A1 (0.54) APPLMNAALDH1A1MAPK1SLC22A2
SCHEMBL14596281 0.79 TSHR (0.50) APPLMNAALDH1A1MAPK1SLC22A2
Hydrochloric Acid SCHEMBL21056194 0.78 APP (0.47) APPLMNAALDH1A1MAPK1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12383482-B2 Hair coloring compositions WELLA GERMANY GMBH (DE) 2025-08-12 US claimed
EP-4251285-B1 HAIR COLORING COMPOSITIONS WELLA INT OPERATIONS SWITZERLAND SARL (CH) 2024-09-04 EP claimed
US-20240024218-A1 HAIR COLORING COMPOSITIONS WELLA GERMANY GMBH (DE) 2024-01-25 US claimed
EP-4251285-A1 HAIR COLORING COMPOSITIONS Wella International Operations Switzerland Sàrl (CH) 2023-10-04 EP claimed
WO-2022112473-A1 HAIR COLORING COMPOSITIONS WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2022-06-02 WO claimed
EP-3263180-B1 METHOD FOR COLORING HAIR FIBERS INTO A FIRST AND A SECOND PATTERNS NOXELL CORP (US) 2020-04-08 EP claimed
US-20190269945-A1 METHOD FOR COLORING HAIR FIBERS INTO A FIRST AND A SECOND PATTERNS NOXELL CORP (US) 2019-09-05 US claimed
EP-3281623-B1 HAIR COLORING COMPOSITION FOR PROVIDING A FILM ON KERATIN FIBERS NOXELL CORP (US) 2019-07-31 EP claimed
US-20190201308-A1 METHOD FOR COLORING HAIR NOXELL CORPORATION 2019-07-04 US claimed
US-20190160000-A1 HAIR COLORING COMPOSITION FOR PROVIDING A FILM ON KERATIN FIBERS WELLA OPERATIONS US, LLC 2019-05-30 US claimed
WO-2013058817-A1 OXIDATIVE DYEING COMPOSITIONS COMPRISING AN 1-HEXYL/HEPTYL-4,5-DIAMINOPYRAZOLE AND A M-AMINOPHENOL AND DERIVATIVES THEREOF THE PROCTER & GAMBLE COMPANY (US) 2013-04-25 WO claimed
US-20120210521-A1 Oxidative Dyeing Compositions Comprising an 1-Hexyl/Heptyl-4,5-diaminopyrazole and a Benzo[1,3]dioxol-5-ylamine and Derivatives Thereof WELLA OPERATIONS US, LLC 2012-08-23 US claimed
US-20120210524-A1 Oxidative Dyeing Compositions Comprising an 1-Hexyl/Heptyl-4,5-diaminopyrazole and a Benzene-1,3-diamine and Derivatives Thereof WELLA OPERATIONS US, LLC 2012-08-23 US claimed
US-20120210519-A1 Oxidative Dyeing Compositions Comprising an 1-Hexyl/Heptyl-4,5-diaminopyrazole and a 2-Aminophenol and Derivatives Thereof WELLA OPERATIONS US, LLC 2012-08-23 US claimed
US-20120210522-A1 Oxidative Dyeing Compositions Comprising an 1-Hexyl/Heptyl-4,5-diaminopyrazole and a Naphthalen-1-ol and Derivatives Thereof WELLA OPERATIONS US, LLC 2012-08-23 US claimed
US-20120210525-A1 Oxidative Dyeing Compositions Comprising an 1-Hexy1/Hepty1-4,5-diaminopyrazole and a Benzene-1,3-diol and Derivatives Thereof WELLA OPERATIONS US, LLC 2012-08-23 US claimed
US-20120210520-A1 Oxidative Dyeing Compositions Comprising an 1-Hexyl/Heptyl-4,5-diaminopyrazole and a m-Aminophenol and Derivatives Thereof WELLA OPERATIONS US, LLC 2012-08-23 US claimed
US-20120210526-A1 Oxidative Dyeing Compositions Comprising an 1-Hexyl/Heptyl-4,5-diaminopyrazole and a Pyridine and Derivatives Thereof WELLA OPERATIONS US, LLC 2012-08-23 US claimed
US-7591860-B2 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof L'OREAL, S.A. (FR) 2009-09-22 US claimed
US-20060026777-A1 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof L'OREAL S.A. (FR) 2006-02-09 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 (11 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-20120210521-A1 Oxidative Dyeing Compositions Comprising an 1-Hexyl/Heptyl-4,5-diaminopyrazole and a Benzo[1,3]dioxol-5-ylamine and Derivatives Thereof KRT18, HK1, AOX1 APP 3441/4885LMNA 672/4885ALDH1A1 161/4885
US-20120210520-A1 Oxidative Dyeing Compositions Comprising an 1-Hexyl/Heptyl-4,5-diaminopyrazole and a m-Aminophenol and Derivatives Thereof KRT18, AOC1, S100P APP 2261/4885LMNA 1550/4885ALDH1A1 153/4885
US-20120210526-A1 Oxidative Dyeing Compositions Comprising an 1-Hexyl/Heptyl-4,5-diaminopyrazole and a Pyridine and Derivatives Thereof KRT18, NOX4, AOC1 APP 2561/4885LMNA 1684/4885ALDH1A1 169/4885
US-20190201308-A1 METHOD FOR COLORING HAIR TYR, CYB5R3, ALDH1A3 APP 1903/4885LMNA 1342/4885ALDH1A1 41/4885
US-20120210525-A1 Oxidative Dyeing Compositions Comprising an 1-Hexy1/Hepty1-4,5-diaminopyrazole and a Benzene-1,3-diol and Derivatives Thereof AOC1, AOX1, HK1 APP 2245/4885LMNA 4062/4885ALDH1A1 26/4885
US-20120210519-A1 Oxidative Dyeing Compositions Comprising an 1-Hexyl/Heptyl-4,5-diaminopyrazole and a 2-Aminophenol and Derivatives Thereof TYR, GPX4, TH APP 2735/4885LMNA 3787/4885ALDH1A1 18/4885
US-20120210522-A1 Oxidative Dyeing Compositions Comprising an 1-Hexyl/Heptyl-4,5-diaminopyrazole and a Naphthalen-1-ol and Derivatives Thereof AOC1, NOX1, AOX1 APP 1910/4885LMNA 2627/4885ALDH1A1 55/4885
US-20120210524-A1 Oxidative Dyeing Compositions Comprising an 1-Hexyl/Heptyl-4,5-diaminopyrazole and a Benzene-1,3-diamine and Derivatives Thereof KRT18, AOC1, NOX4 APP 2598/4885LMNA 1684/4885ALDH1A1 55/4885
US-20190269945-A1 METHOD FOR COLORING HAIR FIBERS INTO A FIRST AND A SECOND PATTERNS COXFA4L2, KRT18, SHH APP 2799/4885LMNA 854/4885ALDH1A1 378/4885
US-20190160000-A1 HAIR COLORING COMPOSITION FOR PROVIDING A FILM ON KERATIN FIBERS KRT18, CUTA, POTEE APP 1233/4885LMNA 301/4885ALDH1A1 1285/4885
US-20060026777-A1 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof KRT18, CDC73, DSP APP 676/4885LMNA 214/4885ALDH1A1 763/4885

“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.