SCHEMBL130553

SCHEMBL130553

Nc1ccc(N)c2c1OCCO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
LMNA P02545 3/20 0.37
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
LGMN Q99538 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HTR4 Q13639 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
CRHBP P24387 2/20 0.32
CRHR2 Q13324 2/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
THRB P10828 1/20 0.30
PARP1 P09874 1/20 0.30
HTR6 P50406 1/20 0.30
CYP3A4 P08684 1/20 0.30

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 SCHEMBL9511843 0.97 MAPT (0.37) MAPTLMNAITGB2ICAM1ITGAL
SCHEMBL5151322 0.88 LMNA (0.35) MAPTLMNALGMNGAAHTT
Hydrochloric Acid SCHEMBL9512518 0.86 MAPT (0.34) MAPTLMNALGMNKDM4EGAA
SCHEMBL17041206 0.85 MAPT (0.35) MAPTLMNAHTTMEN1KMT2A
SCHEMBL21603443 0.85 CYP3A4 (0.35) MAPTLMNASMN1; SMN2TDP1CYP3A4
SCHEMBL10522813 0.85 DRD2 (0.44) MAPTLMNAKDM4EGAAHTR4
SCHEMBL29661294 0.85 MAPT (0.35) MAPTLMNAHTTMEN1KMT2A
SCHEMBL29212259 0.85 LMNA (0.32) MAPTLMNA
SCHEMBL30184598 0.85 LMNA (0.32) MAPTLMNA
SCHEMBL23334189 0.80 HTR4 (0.34) HTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013013897-A2 NOVEL OXIDATION DYE PRECURSORS HENKEL AG & CO. KGAA (DE) 2013-01-31 WO claimed
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-1433470-B1 Composition for dyeing keratinous fibres HENKEL KGAA (DE) 2008-03-26 EP claimed
EP-1759735-B1 Method of selectively dyeing portions of hair HENKEL KGAA (DE) 2007-12-05 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-1787685-A2 Combinations of dye precursors HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-05-23 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
WO-2005051336-A1 METHOD FOR DYEING FIBRES CONTAINING KERATINE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-06-09 WO claimed
EP-1301163-B1 OXIDATIVE HAIR COLOURING AGENTS CONTAINING AT LEAST ONE DISUBSTITUITED 2,4-DIAMINO PHENYL ETHER AS A COUPLING COMPONENT HENKEL KGAA (DE) 2005-01-26 EP claimed
EP-1433470-A1 Composition for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 EP 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-1301163-A1 OXIDISED HAIR COLOURING AGENTS CONTAINING AT LEAST ONE DISUBSTITUITED 2.4-DIAMINO PHENYL ETHER AS A COUPLING COMPONENT Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-16 EP claimed
EP-1235550-A2 NEW COLOURING COMBINATION Henkel Kommanditgesellschaft auf Aktien (DE) 2002-09-04 EP claimed
WO-2002010118-A1 OXIDIZING COLORANT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-02-07 WO claimed
WO-2002005767-A1 OXIDISED HAIR COLOURING AGENTS CONTAINING AT LEAST ONE DISUBSTITUITED 2.4-DIAMINO PHENYL ETHER AS A COUPLING COMPONENT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-01-24 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 (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-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 MAPT 378/4885LMNA 322/4885ITGB2 2390/4885

“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.