SCHEMBL5220053

SCHEMBL5220053

O=C(OCc1cccc(Cl)c1)C1CCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
HCAR2 Q8TDS4 1/20 0.52
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP12 P39900 1/20 0.49
EPHX2 P34913 1/20 0.48
CYP3A4 P08684 2/20 0.46
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
S1PR1 P21453 1/20 0.46
S1PR5 Q9H228 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
NR4A2 P43354 1/20 0.45

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
SCHEMBL28672943 0.97 KDM4E (0.55) KDM4EHCAR2MMP1MMP2MMP9
SCHEMBL3664444 0.81 TSHR (0.58) ALDH1A1TSHRHPGD
SCHEMBL29010887 0.80 MMP1 (0.47) KDM4EHCAR2MMP1MMP2MMP9
SCHEMBL31381188 0.79 KDM4E (0.57) KDM4EALDH1A1TSHR
SCHEMBL6667162 0.78 KDM4E (0.52) KDM4EMMP2MMP9MMP12IDO1
SCHEMBL2703515 0.78 FABP7 (0.55) ALDH1A1TSHR
SCHEMBL27577784 0.77 HCAR2 (0.64) KDM4EHCAR2MMP1MMP2MMP9
SCHEMBL20954511 0.77 ALDH1A1 (0.52) KDM4EHCAR2MMP1MMP2MMP9
SCHEMBL28572234 0.77 ALDH1A1 (0.59) KDM4EMMP1MMP2MMP9MMP12
SCHEMBL6666366 0.77 GAA (0.47) KDM4EMMP2MMP9MMP12IDO1

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
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
CN-1735592-A Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LTD (GB) 2006-02-15 CN 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 KDM4E 1129/4885HCAR2 291/4885MMP1 2748/4885

“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.