SCHEMBL3727017

SCHEMBL3727017

CC(C)[N+]1(C(C)C)CCC(=O)CC1.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.39

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.39
LMNA P02545 2/20 0.39
PTGS2 P35354 4/20 0.37
MMP2 P08253 1/20 0.36
CA12 O43570 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA1 P00915 1/20 0.35
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
TLR9 Q9NR96 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 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
SCHEMBL3728898 0.85 LMNA (0.35) GAALMNAMMP2CA12CA2
SCHEMBL3738425 0.82 PTGS2 (0.37) GAALMNAPTGS2MMP2CA12
SCHEMBL3731849 0.82 GAA (0.41) GAALMNAPTGS2MMP2CA12
SCHEMBL3735278 0.82 GBA1 (0.38) GAALMNAMMP2CA12CA2
SCHEMBL3730987 0.79 CYP3A4 (0.39) GAALMNAPTGS2MMP2CA12
SCHEMBL3743490 0.77 LMNA (0.37) GAALMNAPTGS2MMP2CA12
SCHEMBL4078041 0.77 CYP2C9 (0.38) GAALMNAPTGS2MMP2CA12
SCHEMBL4463639 0.75 GAA (0.56) GAALMNAMMP2CA12CA2
SCHEMBL3740019 0.75
SCHEMBL3743717 0.75 CYP2C9 (0.39) GAALMNAMMP2CA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1900393-B1 Hydrogen peroxide activation with diones and imidazoles HENKEL AG & CO KGAA (DE) 2018-02-28 EP disclosed
EP-1862198-B1 Brightening and/or dyeing agent with urea derivatives HENKEL AG & CO KGAA (DE) 2017-04-05 EP disclosed
EP-2026754-B1 LIGHTENING AND/OR COLOURING AGENT COMPRISING CYCLIC UREA DERIVATIVES HENKEL AG & CO KGAA (DE) 2015-09-30 EP disclosed
EP-2012742-B1 BLEACHING AND/OR COLOURING AGENTS CONTAINING PIPERIDONES HENKEL AG & CO KGAA (DE) 2014-03-19 EP disclosed
US-20100278767-A1 Lightening Agents and/or Dyes that Contain Aldehyde(s) HENKEL AG & CO. KGAA (DE) 2010-11-04 US disclosed
EP-2051689-A1 LIGHTENING AGENTS AND/OR DYES THAT CONTAIN ALDEHYDE(S) Henkel AG & Co. KGaA (DE) 2009-04-29 EP disclosed
EP-2026754-A2 LIGHTENING AND/OR COLOURING AGENT COMPRISING CYCLIC UREA DERIVATIVES Henkel AG & Co. KGaA (DE) 2009-02-25 EP disclosed
EP-2012742-A1 BLEACHING AND/OR COLOURING AGENTS CONTAINING PIPERIDONES Henkel AG & Co. KGaA (DE) 2009-01-14 EP disclosed
EP-2007343-A1 BLEACHING AGENTS CONTAINING PIPERIDONES Henkel AG & Co. KGaA (DE) 2008-12-31 EP disclosed
WO-2008068140-A2 MEANS FOR BRIGHTENING COLOR MODIFICATION OF KERATINIC FIBERS, CONTAINING AN ALKYL PHOSPHORIC ACID ESTER HENKEL AG & CO. KGAA (DE) 2008-06-12 WO disclosed
WO-2008022996-A1 LIGHTENING AGENTS AND/OR COLORANTS CONTAINING POLYOL ESTERS HENKEL AG & CO. KGAA (DE) 2008-02-28 WO disclosed
EP-1891927-A2 Hydrogen peroxide activation with methanol (hetero)aromatic compounds Henkel Kommanditgesellschaft auf Aktien (DE) 2008-02-27 EP disclosed
EP-1892013-A2 Hydrogen peroxide activation with nonionic compounds Henkel Kommanditgesellschaft auf Aktien (DE) 2008-02-27 EP disclosed
WO-2008019986-A1 LIGHTENING AGENTS AND/OR DYES THAT CONTAIN ALDEHYDE(S) HENKEL AG & CO. KGAA (DE) 2008-02-21 WO disclosed
EP-1882470-A2 Hydrogen peroxide activation with betaines and/or aminoxides Henkel Kommanditgesellschaft auf Aktien (DE) 2008-01-30 EP disclosed
EP-1882495-A2 Hydrogen peroxide activation with anionic tensides Henkel Kommanditgesellschaft auf Aktien (DE) 2008-01-30 EP disclosed
WO-2007137676-A2 LIGHTENING AND/OR COLOURING AGENT COMPRISING CYCLIC UREA DERIVATIVES HENKEL AG & CO. KGAA (DE) 2007-12-06 WO disclosed
EP-1862198-A2 Brightening and/or dyeing agent with urea derivatives Henkel Kommanditgesellschaft auf Aktien (DE) 2007-12-05 EP disclosed
WO-2007118618-A1 BLEACHING AGENTS CONTAINING PIPERIDONES HENKEL AG & CO. KGAA (DE) 2007-10-25 WO disclosed
WO-2007118617-A1 BLEACHING AND/OR COLOURING AGENTS CONTAINING PIPERIDONES HENKEL AG & CO. KGAA (DE) 2007-10-25 WO disclosed

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-20100278767-A1 Lightening Agents and/or Dyes that Contain Aldehyde(s) CCR3, CBR3, CCRL2 GAA 4720/4885LMNA 2302/4885PTGS2 3001/4885

“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.