SCHEMBL3735005

SCHEMBL3735005

CC(C)N1CCC(=O)CC1.COS(=O)(=O)O

nearest known ligand 0.41

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

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 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.41
GAA P10253 2/20 0.33
MMP9 P14780 2/20 0.33
MMP13 P45452 2/20 0.33
MMP1 P03956 1/20 0.33
LMNA P02545 1/20 0.33
HRH3 Q9Y5N1 3/20 0.33
HTR6 P50406 1/20 0.32
ALDH1A1 P00352 3/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
THRB P10828 1/20 0.31
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP8 P22894 1/20 0.30
MMP14 P50281 1/20 0.30
KDM4E B2RXH2 2/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 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
SCHEMBL3737412 0.83 KDM4E (0.36) HRH3ALDH1A1KDM4E
SCHEMBL190568 0.82 CHRNA7 (0.50) CHRNA7GAALMNAHRH3ALDH1A1
SCHEMBL3738896 0.80 HRH3 (0.33) CHRNA7GAAHRH3ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL3732680 0.80 CHRNA7 (0.48) CHRNA7GAALMNAHRH3ALDH1A1
Iodide SCHEMBL6583609 0.80 CHRNA7 (0.48) CHRNA7GAALMNAHRH3ALDH1A1
Bromide SCHEMBL3731956 0.80 CHRNA7 (0.48) CHRNA7GAALMNAHRH3ALDH1A1
SCHEMBL3731673 0.79 DRD2 (0.34) ALDH1A1L3MBTL1MAPT
Acetone SCHEMBL7727826 0.78 CHRNA7 (0.48) CHRNA7GAAHRH3ALDH1A1L3MBTL1
SCHEMBL3732386 0.77 PIK3CD (0.40) GAAHRH3L3MBTL1
SCHEMBL3728619 0.75 LMNA (0.56) GAALMNAALDH1A1L3MBTL1MMP2

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 CHRNA7 1600/4885GAA 4720/4885MMP9 3496/4885

“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.