SCHEMBL5222704

SCHEMBL5222704

O=C(O)c1cc(/C=C/c2ccccc2)cc(N2CCCC2=O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2D6 P10635 2/20 0.60
CYP2C9 P11712 2/20 0.60
HPGD P15428 2/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C19 P33261 1/20 0.60
NPC1 O15118 7/20 0.51
RAB9A P51151 7/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TSHR P16473 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 2/20 0.46
DUSP3 P51452 1/20 0.46
PTPN5 P54829 1/20 0.46
PTPN11 Q06124 1/20 0.46
RXFP1 Q9HBX9 1/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL5222712 1.00 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL5223732 0.89 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL5223738 0.89 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL28758828 0.83 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL5386977 0.82 ALDH1A1 (0.57) ALDH1A1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL5219110 0.81 ALDH1A1 (0.71) ALDH1A1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL5853558 0.80 ALDH1A1 (0.65) ALDH1A1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL6185617 0.77 ALDH1A1 (0.61) ALDH1A1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL5218087 0.76 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL5177442 0.76 ALDH1A1 (0.63) ALDH1A1CYP1A2CYP2D6CYP2C9HPGD

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 3 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

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 2757/4885CYP2D6 3963/4885

“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.