SCHEMBL757114

SCHEMBL757114

CC=COc1cccc(C(=O)OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
TP53 P04637 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.47
TSHR P16473 1/20 0.47
HIF1A Q16665 1/20 0.47
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
CES2 O00748 1/20 0.46

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
SCHEMBL757113 1.00 SMN1; SMN2 (0.51) SMN1; SMN2TP53L3MBTL1RAB9ANPC1
SCHEMBL757838 1.00 SMN1; SMN2 (0.51) SMN1; SMN2TP53L3MBTL1RAB9ANPC1
SCHEMBL28459005 0.83 AKR1C3 (0.56) RAB9ANPC1KMT2ACES2CES1
SCHEMBL22655904 0.83 SMN1; SMN2 (0.54) SMN1; SMN2TP53L3MBTL1RAB9ANPC1
SCHEMBL755296 0.82 SMN1; SMN2 (0.52) SMN1; SMN2TP53L3MBTL1RAB9ANPC1
SCHEMBL6938533 0.81 L3MBTL1 (0.53) SMN1; SMN2L3MBTL1LMNAMAPTALDH1A1
SCHEMBL6938536 0.81 L3MBTL1 (0.53) SMN1; SMN2L3MBTL1LMNAMAPTALDH1A1
SCHEMBL11343755 0.80 CA1 (0.60) SMN1; SMN2RAB9ANPC1LMNAMAPT
Methyl 3-Methoxybenzoate SCHEMBL384913 0.79 SMN1; SMN2 (0.73) SMN1; SMN2TP53RAB9ANPC1LMNA
SCHEMBL2436534 0.79 L3MBTL1 (0.65) SMN1; SMN2TP53L3MBTL1RAB9ANPC1

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-8211904-B2 Spiropiperidine beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme Corp. (US) 2012-07-03 US disclosed
EP-1910364-B1 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2012-03-21 EP disclosed
US-20070021454-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK SHARP & DOHME LLC 2007-01-25 US 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-20070021454-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease BACE1, APP, PSEN1 SMN1; SMN2 2111/4885TP53 3781/4885L3MBTL1 4840/4885

“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.