SCHEMBL453935

SCHEMBL453935

Nc1ccc(OCCCO)c(N)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.62
MAPT P10636 3/20 0.62
USP2 O75604 2/20 0.62
KDM4E B2RXH2 2/20 0.62
ALDH1A1 P00352 2/20 0.62
TP53 P04637 2/20 0.62
POLB P06746 2/20 0.62
MEN1 O00255 1/20 0.62
CASP1 P29466 1/20 0.62
HTT P42858 1/20 0.62
CASP7 P55210 1/20 0.62
KMT2A Q03164 1/20 0.62
ATM Q13315 1/20 0.62
PRSS1 P07477 8/20 0.50
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TUBB1 Q9H4B7 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
Hydrochloric Acid SCHEMBL6576256 0.98 GAA (0.66) GAAMAPTUSP2KDM4EALDH1A1
Sulfuric Acid SCHEMBL7132360 0.92 ALDH1A1 (0.54) GAAMAPTUSP2KDM4EALDH1A1
SCHEMBL8091658 0.91 MAPT (0.61) GAAMAPTUSP2KDM4EALDH1A1
SCHEMBL29358757 0.90 MAPT (0.65) GAAMAPTUSP2KDM4EALDH1A1
SCHEMBL35916 0.90 MAPT (0.65) GAAMAPTUSP2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL29378616 0.89 GAA (0.68) GAAMAPTUSP2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL29356501 0.89 GAA (0.68) GAAMAPTUSP2KDM4EALDH1A1
Ammonia Solution, Strong SCHEMBL27977263 0.89 MAPT (0.62) GAAMAPTUSP2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL1453993 0.89 GAA (0.68) GAAMAPTUSP2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL33976 0.89 GAA (0.68) GAAMAPTUSP2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274286-B1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF PROCTER & GAMBLE (US) 2015-08-05 EP claimed
EP-2421501-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND USE THEREOF The Procter & Gamble Company (US) 2012-02-29 EP claimed
EP-2421613-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND A CHELANT AND USE THEREOF The Procter & Gamble Company (US) 2012-02-29 EP claimed
US-7988740-B2 Keratin dyeing compositions comprising a radical scavenger and use thereof THE PROCTER & GAMBLE COMPANY (US) 2011-08-02 US claimed
US-7985266-B2 Keratin dyeing compositions comprising a radical scavenger and a chelant and use thereof THE PROCTER & GAMBLE COMPANY (US) 2011-07-26 US claimed
US-20110035885-A1 Keratin Dyeing Compositions Comprising a Radical Scavenger and Use Thereof NOXELL CORPORATION 2011-02-17 US claimed
US-20110035886-A1 Keratin Dyeing Compositions Comprising a Radical Scavenger and a Chelant and Use Thereof NOXELL CORPORATION 2011-02-17 US claimed
EP-2274286-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF The Procter & Gamble Company (US) 2011-01-19 EP claimed
US-7850742-B2 Keratin dyeing compounds, keratin dyeing compositions containing said compounds, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2010-12-14 US claimed
WO-2010123863-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2010-10-28 WO claimed
WO-2002039968-A1 NOVEL COUPLER FOR USE IN OXIDATIVE HAIR DYEING P&G - CLAIROL, INC. (US) 2002-05-23 WO claimed
WO-2002039967-A1 NOVEL COUPLER FOR USE IN OXIDATIVE HAIR DYEING P&G - CLAIROL, INC. (US) 2002-05-23 WO claimed
WO-2002039970-A1 NOVEL COUPLER FOR USE IN OXIDATIVE HAIR DYEING P&G - CLAIROL, INC. (US) 2002-05-23 WO claimed
WO-2002039969-A1 NOVEL COUPLER FOR USE IN OXIDATIVE HAIR DYEING P&G-CLAIROL, INC. (US) 2002-05-23 WO claimed
WO-2002017866-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G-CLAIROL, INC. (US) 2002-03-07 WO claimed
EP-1158954-A1 MEANS AND METHOD FOR DYING KERATINIC FIBRES Wella Aktiengesellschaft (DE) 2001-12-05 EP claimed
EP-1129688-A1 Hair coloring composition using an inorganic peroxymonosulfate salt as an oxidation agent. Bristol-Myers Squibb Company (US) 2001-09-05 EP claimed
US-6264703-B1 FOR DYEING HAIR CLAIROL INCORPORATED 2001-07-24 US claimed
WO-2001051019-A1 MEANS AND METHOD FOR DYING KERATINIC FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2001-07-19 WO claimed
WO-1997045510-A1 FOAMING ACIDIC DETERGENT/CLEANSING GEL SALIENT SCIENCE, INC. (US) 1997-12-04 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 (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-20110035885-A1 Keratin Dyeing Compositions Comprising a Radical Scavenger and Use Thereof KRT18, LPO, CYB5R3 GAA 3284/4885MAPT 537/4885USP2 2377/4885
US-20110035886-A1 Keratin Dyeing Compositions Comprising a Radical Scavenger and a Chelant and Use Thereof KRT18, LPO, KRTCAP2 GAA 1970/4885MAPT 547/4885USP2 2080/4885

“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.