SCHEMBL4877948

SCHEMBL4877948

C=CCN(C(=O)OCc1ccccc1)c1cc(CBr)cc(C(=O)OC)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 4/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 3/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 3/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP3A4 P08684 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL2533468 0.91 ALDH1A1 (0.43) ALDH1A1KDM4ERAB9ASMN1; SMN2MAPT
SCHEMBL2530507 0.91 ALDH1A1 (0.43) ALDH1A1KDM4ERAB9ASMN1; SMN2MAPT
SCHEMBL4878311 0.89 HPGD (0.47) ALDH1A1KDM4ERAB9ASMN1; SMN2MAPT
SCHEMBL2532552 0.88 HPGD (0.44) ALDH1A1KDM4ERAB9ASMN1; SMN2MAPT
SCHEMBL2526880 0.87 TSHR (0.47) ALDH1A1KDM4ERAB9ASMN1; SMN2MAPT
SCHEMBL2527578 0.86 ALDH1A1 (0.43) ALDH1A1KDM4ERAB9ASMN1; SMN2MAPT
SCHEMBL2531178 0.86 HPGD (0.42) ALDH1A1KDM4ERAB9ASMN1; SMN2MAPT
SCHEMBL4881247 0.85 ALDH1A1 (0.39) ALDH1A1KDM4ERAB9ASMN1; SMN2MAPT
SCHEMBL4872892 0.84 RAB9A (0.42) ALDH1A1KDM4ERAB9ASMN1; SMN2MAPT
SCHEMBL2533040 0.84 HPGD (0.41) ALDH1A1KDM4ERAB9ASMN1; SMN2MAPT

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 3337/4885RAB9A 2224/4885

“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.