SCHEMBL1723917

SCHEMBL1723917

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.33
HPGD P15428 6/20 0.33
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
THRB P10828 1/20 0.32
GLA P06280 1/20 0.32
KDM4E B2RXH2 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31

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
SCHEMBL2185261 0.84 POLB (0.40) TSHRALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL1724231 0.79 THRB (0.35) TSHRALDH1A1LMNATHRBKMT2A
SCHEMBL1724667 0.77 TSHR (0.39) TSHRALDH1A1HPGDLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL1712399 0.77 THRB (0.34) ALDH1A1THRB
Bromide SCHEMBL1712429 0.76 KMT2A (0.38) TSHRALDH1A1HPGDLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL1712397 0.76 ALDH1A1 (0.38) TSHRALDH1A1HPGDLMNASMN1; SMN2
Acetic Acid SCHEMBL1712128 0.74 ALDH1A1 (0.33) ALDH1A1THRB
Acetic Acid SCHEMBL1712515 0.74 TSHR (0.36) TSHRALDH1A1HPGDLMNASMN1; SMN2
Sulfuric Acid SCHEMBL2184344 0.71 MAPK1 (0.35) TSHRALDH1A1HPGDLMNASMN1; SMN2
Sulfuric Acid SCHEMBL1712788 0.71 MAPK1 (0.35) TSHRALDH1A1HPGDLMNASMN1; SMN2

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 TSHR 2327/4885ALDH1A1 401/4885HPGD 2494/4885

“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.