SCHEMBL2185261

SCHEMBL2185261

CC(=O)OCC[n+]1c(C(C)=O)cccc1C(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 1/20 0.38
RAD52 P43351 1/20 0.35
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
PGR P06401 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
HTR1A P08908 1/20 0.34
CHRNB2 P17787 1/20 0.34
TBXA2R P21731 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHRNA10 Q9GZZ6 1/20 0.34
CHRNA9 Q9UGM1 1/20 0.34

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
SCHEMBL1723917 0.84 TSHR (0.38) POLBALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL2184546 0.78 ALDH1A1 (0.40) POLBALDH1A1RAD52SMN1; SMN2MEN1
SCHEMBL1724231 0.77 THRB (0.35) ALDH1A1TSHRKMT2A
Hydrochloric Acid SCHEMBL1712399 0.76 THRB (0.34) ALDH1A1
Acetic Acid SCHEMBL1712128 0.73 ALDH1A1 (0.33) ALDH1A1
Sulfuric Acid SCHEMBL1712581 0.69 CYP19A1 (0.31) KDM4ESMN1; SMN2
Sulfuric Acid SCHEMBL2183216 0.69 CYP19A1 (0.31) KDM4ESMN1; SMN2
SCHEMBL1712373 0.67 THRB (0.44) ALDH1A1KDM4ESMN1; SMN2TSHRMEN1
SCHEMBL1723959 0.67 LMNA (0.44) ALDH1A1SMN1; SMN2TSHR
SCHEMBL1723900 0.67 THRB (0.33) ALDH1A1KDM4ESMN1; SMN2TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 POLB 2554/4885ALDH1A1 401/4885KDM4E 2152/4885

“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.