SCHEMBL3728893

SCHEMBL3728893

CCCN1CCCC(=O)C1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.41

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
L3MBTL1 Q9Y468 2/20 0.41
MBTD1 Q05BQ5 1/20 0.41
CYP2D6 P10635 3/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 2/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALOX15 P16050 1/20 0.37

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
SCHEMBL3738624 0.92 L3MBTL1 (0.45) L3MBTL1MBTD1CYP2D6CYP1A2CYP2C19
SCHEMBL3742341 0.89 CYP2C19 (0.41) L3MBTL1MBTD1CYP2D6CYP1A2CYP2C19
SCHEMBL3746565 0.83 NPC1 (0.46) L3MBTL1MBTD1CYP2D6TDP1ALDH1A1
SCHEMBL3731445 0.83 CYP2C19 (0.44) L3MBTL1MBTD1CYP2D6DRD3CYP1A2
SCHEMBL3734356 0.82 CYP2D6 (0.48) L3MBTL1CYP2D6CYP1A2CYP2C19TDP1
SCHEMBL2859361 0.80 ALDH1A1 (0.41) L3MBTL1DRD2DRD1DRD4DRD5
SCHEMBL3734620 0.79 ALDH1A1 (0.34) L3MBTL1DRD2DRD1DRD4DRD5
SCHEMBL3739519 0.78 CYP2C19 (0.42) CYP2D6CYP1A2CYP2C19TDP1ALDH1A1
Hydrochloric Acid SCHEMBL3731244 0.78 ALDH1A1 (0.41) L3MBTL1DRD2DRD1DRD4DRD5
Bromide SCHEMBL3733694 0.78 ALDH1A1 (0.41) L3MBTL1DRD2DRD1DRD4DRD5

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-1882495-A2 Hydrogen peroxide activation with anionic tensides Henkel Kommanditgesellschaft auf Aktien (DE) 2008-01-30 EP disclosed
EP-1882470-A2 Hydrogen peroxide activation with betaines and/or aminoxides 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 L3MBTL1 2416/4885MBTD1 3229/4885CYP2D6 2407/4885

“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.