SCHEMBL5445229

SCHEMBL5445229

CCN(CC)C(=O)C[n+]1cccc(C(=O)OC)c1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
RECQL P46063 1/20 0.57
GLA P06280 1/20 0.53
HTT P42858 3/20 0.51
LMNA P02545 3/20 0.46
HSP90AA1 P07900 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAD52 P43351 1/20 0.46
APAF1 O14727 1/20 0.46
USP2 O75604 1/20 0.46
XBP1 P17861 1/20 0.46
BLM P54132 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GAA P10253 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL5323798 0.84 GLA (0.50) ALDH1A1RECQLGLAHTTLMNA
SCHEMBL12205239 0.81 ALDH1A1 (0.64) ALDH1A1RECQLGLAHTTHSP90AA1
SCHEMBL10307403 0.81 ALDH1A1 (0.59) ALDH1A1RECQLGLAHTTLMNA
SCHEMBL5367456 0.79 ALDH1A1 (0.56) ALDH1A1RECQLGLAHTTHSP90AA1
SCHEMBL10307413 0.78 ALDH1A1 (0.57) ALDH1A1RECQLGLAHTTLMNA
SCHEMBL5323844 0.78 ALDH1A1 (0.51) ALDH1A1RECQLGLAHTTLMNA
Bromide SCHEMBL7514295 0.77 ALDH1A1 (0.76) ALDH1A1RECQLGLAHTTLMNA
SCHEMBL10307399 0.75 ALDH1A1 (0.56) ALDH1A1RECQLGLAHTTLMNA
SCHEMBL3841660 0.75 ALDH1A1 (0.57) ALDH1A1RECQLGLAHTTLMNA
SCHEMBL10307400 0.74 ALDH1A1 (0.56) ALDH1A1RECQLGLAHTTPOLB

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
WO-2007132179-A2 THERAPEUTICS COMPRISING PYRIDINIUM DERIVATIVES UNIVERSITY OF BATH (GB) 2007-11-22 WO disclosed
US-20070105810-A1 THERAPEUTICS POTTER BARRY V L 2007-05-10 US disclosed
US-20070105810-A1 THERAPEUTICS POTTER BARRY V L 2007-05-10 US disclosed
US-20070105810-A1 THERAPEUTICS POTTER BARRY V L 2007-05-10 US disclosed
EP-1689714-A2 THERAPEUTIC USE OF PYRIDINIUM COMPOUNDS TO MODULATE NAADP ACTIVITY UNIVERSITY OF BATH (GB) 2006-08-16 EP disclosed
WO-2005054198-A2 THERAPEUTICS USE OF PYRIDINIUM COMPOUNDS TO MODULATE NAADP ACTIVITY UNIVERSITY OF BATH (GB) 2005-06-16 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-20070105810-A1 THERAPEUTICS RYR1, ATP2A1, CACNA1E ALDH1A1 2886/4885RECQL 2324/4885GLA 1336/4885

“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.