SCHEMBL5217328

SCHEMBL5217328

CCOc1cc(NC(=O)CCCCl)cc(C(=O)OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KDM4E B2RXH2 3/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HTT P42858 2/20 0.45
LMNA P02545 2/20 0.44
HSD17B10 Q99714 2/20 0.43
ATM Q13315 1/20 0.43
MDH1 P40925 1/20 0.42
MDH2 P40926 1/20 0.42
HIF1A Q16665 1/20 0.42
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 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
SCHEMBL475604 0.88 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5218074 0.84 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13598611 0.84 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5176554 0.83 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5219349 0.80 MAPT (0.47) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5219580 0.80 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5219577 0.78 KDM4E (0.44) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5216830 0.78 MAPT (0.49) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5218399 0.78 HPGD (0.44) ALDH1A1KDM4ENPC1RAB9ALMNA
SCHEMBL5102954 0.77 KMT2A (0.47) ALDH1A1KDM4EKMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 US disclosed
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 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-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 ALDH1A1 3102/4885CYP1A2 2757/4885CYP3A4 3657/4885

“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.