SCHEMBL128536

SCHEMBL128536

Nc1ccc(O)c(OCCO)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.50
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
PDE10A Q9Y233 1/20 0.42
GAA P10253 5/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 3/20 0.42
CASP1 P29466 3/20 0.42
MEN1 O00255 2/20 0.42
CASP7 P55210 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 2/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
JAK2 O60674 1/20 0.41
LMNA P02545 1/20 0.41
PTGDR2 Q9Y5Y4 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
SCHEMBL29669930 1.00 IDO1 (0.50) IDO1CA1CA2PDE10AGAA
SCHEMBL20776810 0.89 APP (0.51) IDO1CA1CA2PDE10AGAA
SCHEMBL5162262 0.88 CA1 (0.45) CA1CA2PDE10AGAAALDH1A1
SCHEMBL109612 0.86 IDO1 (0.49) IDO1CA1CA2PDE10AGAA
SCHEMBL30086965 0.86 IDO1 (0.49) IDO1CA1CA2PDE10AGAA
SCHEMBL2601944 0.86 GAA (0.52) IDO1GAAALDH1A1MAPTKDM4E
Water SCHEMBL9794540 0.85 IDO1 (0.47) IDO1CA1CA2PDE10AGAA
Hydrochloric Acid SCHEMBL9794562 0.85 GAA (0.47) IDO1GAAALDH1A1MAPTKDM4E
SCHEMBL6251622 0.84 GAA (0.45) CA1CA2PDE10AGAAALDH1A1
SCHEMBL29393081 0.84 ALDH1A1 (0.46) IDO1GAAALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7413579-B2 Method for dyeing fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-08-19 US claimed
EP-1909913-A1 METHOD FOR QUICKLY CONCEALING THE ROOTS OF HAIR THAT HAVE GROWN AFTER THE HAIR HAS BEEN DYED HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-04-16 EP claimed
EP-1759735-B1 Method of selectively dyeing portions of hair HENKEL KGAA (DE) 2007-12-05 EP claimed
EP-1453477-B1 DEVELOPER-COUPLER COMBINATION CONTAINING 2,4-DICHLORO-3-AMINOPHENOL HENKEL KGAA (DE) 2007-10-17 EP claimed
EP-1789015-A1 METHOD FOR STYLISHLY CHANGING THE COLOR OF KERATINIC FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-05-30 EP claimed
EP-1776984-A2 Method for extending the recoloring cycles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-04-25 EP claimed
EP-1759735-A1 Method of selectively dyeing portions of hair Henkel Kommanditgesellschaft auf Aktien (DE) 2007-03-07 EP claimed
WO-2007017048-A1 METHOD FOR QUICKLY CONCEALING THE ROOTS OF HAIR THAT HAVE GROWN AFTER THE HAIR HAS BEEN DYED HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-02-15 WO claimed
US-20060265818-A1 At least two oxidation dye precursors, at least one of which must be of the developer type or at least two oxo dye precursors, at least one of which must be a reactive carbonyl compound; hair dyes producing uniform and natural-looking, lightened color reflections HENKEL KOMMANDITGESELLSCHAFT AUF AKLLEN (HENKEL KGAA) (DE) 2006-11-30 US claimed
EP-1715836-A1 METHOD FOR DYEING FIBRES CONTAINING KERATINE Henkel Kommanditgesellschaft auf Aktien (DE) 2006-11-02 EP claimed
WO-2003053385-A1 NOVEL OXIDATION DYES COMPRISING 2,4-DICHLORO-3-AMINOPHENOL HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-07-03 WO claimed
US-20030106167-A1 Oxidation colorant of a m-phenylenediamine and a primary intermediates of a p-phenylenediamine, a p-aminophenol binuclear primary and intermediates or pyrazole derivatives HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2003-06-12 US claimed
EP-1309540-A1 OXIDIZING COLORANT Henkel Kommanditgesellschaft auf Aktien (DE) 2003-05-14 EP claimed
EP-1286646-A1 OXIDATION DYEING METHOD FOR KERATINOUS FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2003-03-05 EP claimed
EP-1235550-A2 NEW COLOURING COMBINATION Henkel Kommanditgesellschaft auf Aktien (DE) 2002-09-04 EP claimed
WO-2002038533-A1 NOVEL COUPLING COMPONENTS FOR OXIDATION DYES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-05-16 WO claimed
WO-2002026201-A2 OXIDATION DYES WITH 2-AMINO-5-METHYLPHENOL HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-04-04 WO claimed
WO-2002010118-A1 OXIDIZING COLORANT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-02-07 WO claimed
WO-2001093819-A1 OXIDATION DYEING METHOD FOR KERATINOUS FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-13 WO claimed
WO-2001041717-A2 NEW COLOURING COMBINATION HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 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 (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-20030106167-A1 Oxidation colorant of a m-phenylenediamine and a primary intermediates of a p-phenylenediamine, a p-aminophenol binuclear primary and intermediates or pyrazole derivatives KRT18, PPOX, CDC73 IDO1 2289/4885CA1 3076/4885CA2 3809/4885
US-20060265818-A1 At least two oxidation dye precursors, at least one of which must be of the developer type or at least two oxo dye precursors, at least one of which must be a reactive carbonyl compound; hair dyes producing uniform and natural-looking, lightened color reflections KRT18, CUTA, PLOD2 IDO1 125/4885CA1 328/4885CA2 603/4885

“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.