SCHEMBL4881046

SCHEMBL4881046

CCOC(C)Oc1cc(NC(=O)OCc2ccccc2)cc(C(=O)OC)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
MGLL Q99685 2/20 0.44
POLB P06746 1/20 0.43
CYP3A4 P08684 2/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL5220709 0.85 KDM4E (0.56) KDM4EMGLLPOLBMAPTLMNA
SCHEMBL6241708 0.82 KDM4E (0.49) KDM4EMGLLPOLBMAPTLMNA
SCHEMBL8290410 0.82 KDM4E (0.47) KDM4EMGLLPOLBCYP3A4MAPT
SCHEMBL4871235 0.79 KDM4E (0.56) KDM4EMGLLPOLBLMNAHPGD
SCHEMBL2529957 0.79 KDM4E (0.59) KDM4EMGLLPOLBLMNAHPGD
SCHEMBL2533431 0.78 KDM4E (0.55) KDM4EMGLLPOLBLMNAHPGD
SCHEMBL2527618 0.77 KDM4E (0.53) KDM4EMGLLPOLBLMNAHPGD
SCHEMBL2533853 0.77 KDM4E (0.53) KDM4EMGLLPOLBLMNAHPGD
SCHEMBL14525228 0.76 NR1H4 (0.46) KDM4EMGLLPOLBMAPTLMNA
SCHEMBL3197311 0.76 L3MBTL1 (0.54) MGLLPOLBMAPT

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-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors NOVARTIS AG (CH) 2008-06-05 US disclosed
EP-1851208-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2007-11-07 EP disclosed
WO-2006074950-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2006-07-20 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-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors BACE1, BACE2, APP KDM4E 3337/4885MGLL 2688/4885POLB 356/4885

“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.