SCHEMBL4872653

SCHEMBL4872653

C=CCN(C(=O)OCc1ccccc1)c1cc(CCC(C)=O)cc(C(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
TDP1 Q9NUW8 2/20 0.33
GAA P10253 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSPO P30536 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAB9A P51151 1/20 0.33
HTT P42858 1/20 0.33
GFER P55789 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL2526914 0.86 TSHR (0.41) ALDH1A1MAPTHPGDTSHRHCAR2
SCHEMBL2526958 0.86 ALDH1A1 (0.41) ALDH1A1MAPTHPGDTSHRHCAR2
SCHEMBL4874179 0.83 ALDH1A1 (0.42) ALDH1A1MAPTHPGDTSHRHCAR2
SCHEMBL2532574 0.83 MEN1 (0.45) ALDH1A1MAPTHPGDTSHRKMT2A
SCHEMBL2528124 0.82 TSHR (0.49) ALDH1A1MAPTHPGDTSHRKMT2A
SCHEMBL2530897 0.82 ALDH1A1 (0.43) ALDH1A1MAPTHPGDTSHRHCAR2
SCHEMBL4874173 0.82 RAB9A (0.38) ALDH1A1MAPTHPGDTSHRHCAR2
SCHEMBL4877948 0.80 ALDH1A1 (0.43) ALDH1A1MAPTHPGDTSHRKMT2A
SCHEMBL4877059 0.79 MEN1 (0.39) ALDH1A1MAPTHPGDTSHRKMT2A
SCHEMBL2533468 0.78 ALDH1A1 (0.43) ALDH1A1MAPTHPGDTSHRKMT2A

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 2631/4885MAPT 37/4885HPGD 2739/4885

“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.