SCHEMBL4871019

SCHEMBL4871019

C=CCN(C)c1cc(C(=O)OC(C)(C)C)cc(OC)n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
HIF1A Q16665 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.30

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
Hydrochloric Acid SCHEMBL4878895 0.83 ALDH1A1 (0.42) ALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL899172 0.73 KDM4E (0.40) ALDH1A1KDM4E
SCHEMBL23684584 0.72 ALDH1A1 (0.54) ALDH1A1KDM4EL3MBTL1
SCHEMBL30260171 0.72 ALDH1A1 (0.54) ALDH1A1KDM4EL3MBTL1
SCHEMBL23304324 0.72 CYP1A2 (0.33) ALDH1A1KDM4E
SCHEMBL2711566 0.71 ALDH1A1 (0.53) ALDH1A1KDM4EL3MBTL1
SCHEMBL5854930 0.71 ALDH1A1 (0.53) ALDH1A1KDM4E
SCHEMBL23304476 0.71 KCNQ3 (0.38) ALDH1A1KDM4E
SCHEMBL3186774 0.70 ALDH1A1 (0.41) ALDH1A1KDM4EGLAGAAMAPT
SCHEMBL23683996 0.70 HCAR3 (0.38)

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 ALDH1A1 2631/4885KDM4E 3337/4885GLA 284/4885

“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.