SCHEMBL143689

SCHEMBL143689

CC(=O)C[n+]1ccccc1C(C)=O.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.38

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
LMNA P02545 3/20 0.38
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RECQL P46063 1/20 0.37
HSD11B1 P28845 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
THPO P40225 1/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TP53 P04637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 1/20 0.35
HPGD P15428 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 3/20 0.33
PTGS2 P35354 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
SCHEMBL290641 0.93 CYP2D6 (0.35) LMNAHTTSMN1; SMN2HSD11B1CYP2D6
SCHEMBL1716790 0.90 LMNA (0.37) LMNAHTTSMN1; SMN2RECQLHSD11B1
SCHEMBL1712432 0.88 KDM4E (0.40) LMNAHTTSMN1; SMN2RECQLHSD11B1
Sulfuric Acid SCHEMBL1491998 0.88 LMNA (0.36) LMNAHTTSMN1; SMN2RECQLHSD11B1
Sulfuric Acid SCHEMBL2182781 0.86 CYP2C19 (0.35) LMNASMN1; SMN2CYP2D6MAPK1KMT2A
Sulfuric Acid SCHEMBL291858 0.86 CYP2D6 (0.35) LMNACYP2D6MAPK1KMT2AKDM4E
SCHEMBL146684 0.86 LMNA (0.38) LMNAHTTSMN1; SMN2RECQLHSD11B1
SCHEMBL1034142 0.85 CYP2D6 (0.49) LMNAHTTSMN1; SMN2RECQLHSD11B1
SCHEMBL141770 0.84 C5AR1 (0.38) LMNAHTTSMN1; SMN2RECQLHSD11B1
SCHEMBL1723901 0.83 CYP2D6 (0.40) LMNASMN1; SMN2CYP2D6KMT2AKDM4E

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 15 patents. 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
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
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
EP-2320854-B1 BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES HENKEL AG & CO KGAA (DE) 2012-01-18 EP disclosed
US-8034122-B2 Bleaching agent comprising 2-acylpyridinium derivatives HENKEL AG & CO. KGAA (DE) 2011-10-11 US disclosed
EP-2344113-A2 MEANS FOR TREATING KERATIN FIBRES CONTAINING CATIONIC PYRIDINIUM DERIVATIVES Henkel AG & Co. KGaA (DE) 2011-07-20 EP disclosed
US-20110162671-A1 BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES HENKEL AG & CO. KGAA (DE) 2011-07-07 US disclosed
EP-2320854-A2 BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES Henkel AG & Co. KGaA (DE) 2011-05-18 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-2010054981-A2 COMBINATION OF CATIONIC BLEACH ACTIVATORS AND DYES HENKEL AG & CO. KGAA (DE) 2010-05-20 WO disclosed
WO-2010029006-A2 BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES HENKEL AG & CO. KGAA (DE) 2010-03-18 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-20110162671-A1 BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES KRT18, CBR3, ACOX3 LMNA 631/4885HTT 1600/4885SMN1; SMN2 3229/4885

“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.