SCHEMBL143552

SCHEMBL143552

CC[n+]1ccc(C(C)=O)cc1.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.46

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
MAPT P10636 5/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
ALOX12 P18054 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPK1 P28482 2/20 0.39
STAT3 P40763 1/20 0.39
STAT1 P42224 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
HTT P42858 2/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAOB P27338 1/20 0.37
RECQL P46063 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
SCHEMBL143539 0.88 CA12 (0.43) MAPTHPGDALDH1A1KMT2ALMNA
SCHEMBL143556 0.87 MAPT (0.44) MAPTHPGDALDH1A1KMT2ALMNA
SCHEMBL147870 0.87 MAPT (0.44) MAPTHPGDALDH1A1KMT2ALMNA
SCHEMBL9865883 0.86 GAA (0.43) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL147476 0.85 MAPT (0.43) MAPTHPGDALDH1A1KMT2ALMNA
Sulfuric Acid SCHEMBL141954 0.84 KMT2A (0.38) MAPTHPGDALDH1A1KMT2ALMNA
Sulfuric Acid SCHEMBL141955 0.84 KMT2A (0.38) MAPTHPGDALDH1A1KMT2ALMNA
SCHEMBL142529 0.83 MAPT (0.42) MAPTHPGDALDH1A1KMT2ALMNA
SCHEMBL147386 0.83 MAPT (0.42) MAPTHPGDALDH1A1KMT2ALMNA
SCHEMBL24352 0.83 MAPT (0.49) MAPTHPGDALDH1A1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2263642-B1 Colouring bleaches HENKEL AG & CO KGAA (DE) 2020-04-15 EP disclosed
EP-2306963-B1 MATTING ADDITIVE FOR BLEACHING HENKEL AG & CO KGAA (DE) 2018-03-28 EP disclosed
EP-2271302-B1 BLEACHING AGENT COMPRISING A CATIONIC ACYL PYRIDINIUM DERIVATIVE, A CO-BLEACHING ACTIVATOR, AND HYDROGEN PEROXIDE HENKEL AG & CO KGAA (DE) 2017-07-12 EP disclosed
US-9693937-B2 Foil applicator HENKEL AG & CO. KGAA (DE) 2017-07-04 US disclosed
US-20150174019-A1 FOIL APPLICATOR HENKEL AG & CO. KGAA (DE) 2015-06-25 US disclosed
EP-2427247-B1 FOIL APPLICATOR HENKEL AG & CO KGAA (DE) 2013-12-18 EP disclosed
US-8137412-B2 Bleaching with concomitant hair tonicizing HENKEL AG & CO. KGAA (DE) 2012-03-20 US disclosed
EP-2427247-A2 FOIL APPLICATOR Henkel AG & Co. KGaA (DE) 2012-03-14 EP disclosed
US-20120055500-A1 Foil Applicator HENKEL AG & CO. KGAA (DE) 2012-03-08 US disclosed
US-20110232669-A1 Bleaching with Concomitant Hair Tonicizing HENKEL AG & CO. KGAA (DE) 2011-09-29 US disclosed
US-20110126361-A1 Matting Additive for Blond Hair Dyeing MANNECK HARTMUT 2011-06-02 US disclosed
EP-2306963-A1 MATTING ADDITIVE FOR BLOND HAIR DYING Henkel AG & Co. KGaA (DE) 2011-04-13 EP disclosed
US-20110047712-A1 BLEACHING AGENT HAVING CATIONIC ACYL PYRIDINIUM DERATIVES, CO-BLEACHING ACTIVATORS AND HYDROGEN PEROXIDE HENKEL AG & CO. KGAA (DE) 2011-03-03 US disclosed
EP-2271302-A1 BLEACHING AGENT HAVING CATIONIC ACYL PYRIDINIUM DERIVATIVES, CO-BLEACHING ACTIVATORS, AND HYDROGEN PEROXIDE Henkel AG & Co. KGaA (DE) 2011-01-12 EP disclosed
EP-2263642-A2 Colouring bleaches Henkel AG & Co. KGaA (DE) 2010-12-22 EP disclosed
WO-2010127902-A2 FOIL APPLICATOR HENKEL AG & CO. KGAA (DE) 2010-11-11 WO disclosed
WO-2010066720-A2 IMPROVED BEACHING WITH CONCOMITANT HAIR TONICIZING HENKEL AG & CO. KGAA (DE) 2010-06-17 WO disclosed
WO-2010054981-A2 COMBINATION OF CATIONIC BLEACH ACTIVATORS AND DYES HENKEL AG & CO. KGAA (DE) 2010-05-20 WO disclosed
WO-2010015441-A1 MATTING ADDITIVE FOR BLOND HAIR DYING HENKEL AG & CO. KGAA (DE) 2010-02-11 WO disclosed
WO-2009135700-A1 BLEACHING AGENT HAVING CATIONIC ACYL PYRIDINIUM DERIVATIVES, CO-BLEACHING ACTIVATORS, AND HYDROGEN PEROXIDE HENKEL AG & CO. KGAA (DE) 2009-11-12 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 (3 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-20110047712-A1 BLEACHING AGENT HAVING CATIONIC ACYL PYRIDINIUM DERATIVES, CO-BLEACHING ACTIVATORS AND HYDROGEN PEROXIDE F12, KRT18, H1-3 MAPT 3525/4885HPGD 1977/4885ALDH1A1 980/4885
US-20110126361-A1 Matting Additive for Blond Hair Dyeing LDHB, HMBS, HBB MAPT 2863/4885HPGD 836/4885ALDH1A1 2121/4885
US-20110232669-A1 Bleaching with Concomitant Hair Tonicizing KRT18, KAT7, KAT2B MAPT 1361/4885HPGD 2068/4885ALDH1A1 628/4885

“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.