SCHEMBL1724231

SCHEMBL1724231

CC(=O)c1cccc(C(C)=O)[n+]1CCO

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.35
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL1712399 0.98 THRB (0.34) THRBALDH1A1NPSR1MAPT
Bromide SCHEMBL1716626 0.98 THRB (0.34) THRBALDH1A1NPSR1MAPT
Acetic Acid SCHEMBL1712128 0.94 ALDH1A1 (0.33) THRBALDH1A1NPSR1
Sulfuric Acid SCHEMBL2183216 0.89 CYP19A1 (0.31)
Sulfuric Acid SCHEMBL1712581 0.89 CYP19A1 (0.31)
SCHEMBL1712349 0.83 HSD11B1 (0.33) ALDH1A1NPSR1MAPTLMNAKMT2A
SCHEMBL1723917 0.79 TSHR (0.38) THRBALDH1A1LMNAKMT2ATSHR
SCHEMBL2185261 0.77 POLB (0.40) ALDH1A1KMT2ATSHR
SCHEMBL149591 0.75 CYP2D6 (0.39) ALDH1A1MAPTLMNAKMT2ACYP2D6
Hydrochloric Acid SCHEMBL1717299 0.73 CYP2D6 (0.38) ALDH1A1LMNAKMT2ACYP2D6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2320854-B1 BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES HENKEL AG & CO KGAA (DE) 2012-01-18 EP 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
US-20110162671-A1 BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES HENKEL AG & CO. KGAA (DE) 2011-07-07 US 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 THRB 4087/4885ALDH1A1 401/4885NPSR1 3232/4885

“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.