SCHEMBL5323844

SCHEMBL5323844

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
RECQL P46063 1/20 0.51
HTT P42858 3/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HSP90AA1 P07900 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
GLA P06280 1/20 0.44
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 1/20 0.38
HBB P68871 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL5324017 0.84 LMNA (0.49) ALDH1A1HTTLMNASMN1; SMN2HSP90AA1
SCHEMBL10307413 0.84 ALDH1A1 (0.57) ALDH1A1RECQLHTTLMNASMN1; SMN2
SCHEMBL10307399 0.81 ALDH1A1 (0.56) ALDH1A1RECQLHTTLMNASMN1; SMN2
SCHEMBL3841660 0.81 ALDH1A1 (0.57) ALDH1A1RECQLHTTLMNASMN1; SMN2
SCHEMBL10307403 0.81 ALDH1A1 (0.59) ALDH1A1RECQLHTTLMNASMN1; SMN2
SCHEMBL8038922 0.80 ALDH1A1 (0.56) ALDH1A1RECQLHTTLMNASMN1; SMN2
Bromide SCHEMBL4504186 0.80 ALDH1A1 (0.56) ALDH1A1RECQLHTTLMNASMN1; SMN2
SCHEMBL5445229 0.78 ALDH1A1 (0.57) ALDH1A1RECQLHTTLMNASMN1; SMN2
SCHEMBL5323951 0.77 ALDH1A1 (0.53) ALDH1A1RECQLHTTLMNASMN1; SMN2
SCHEMBL6551851 0.76 ALDH1A1 (0.52) ALDH1A1RECQLHTTLMNASMN1; 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 7 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
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 2324/4885HTT 2926/4885

“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.