SCHEMBL17709653

SCHEMBL17709653

COc1cc(N)ccc1C(=O)C(O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
LMNA P02545 3/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
BLM P54132 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 1/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40
MAPK1 P28482 1/20 0.40
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
PLA2G4A P47712 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL11283361 0.84 TDP1 (0.55) ALDH1A1LMNAHPGDTDP1L3MBTL1
SCHEMBL277654 0.82 HPGD (0.56) ALDH1A1LMNACES2CES1HPGD
SCHEMBL3521745 0.81 LMNA (0.47) ALDH1A1LMNACES2CES1HPGD
Methoxymethane SCHEMBL5593577 0.80 HPGD (0.55) ALDH1A1LMNACES2CES1HPGD
SCHEMBL28029106 0.78 HPGD (0.47) ALDH1A1LMNACES2CES1BLM
SCHEMBL679704 0.78 MAPT (0.49) ALDH1A1LMNACES2CES1HPGD
SCHEMBL19952905 0.78 CES2 (0.47) ALDH1A1LMNACES2CES1HPGD
SCHEMBL9850361 0.77 LMNA (0.44) ALDH1A1LMNACES2CES1BLM
SCHEMBL17653428 0.77 ALDH1A1 (0.43) ALDH1A1LMNACES2CES1BLM
SCHEMBL31250051 0.77 LMNA (0.46) ALDH1A1LMNACES2CES1BLM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663465-B2 Acetylcholinesterase inhibitors and promnesiant serotonin 5-HT4 receptor agonists, their methods of preparation and the pharmaceutical compositions containing the same UNIVERSITE DE CAEN (FR) 2017-05-30 US disclosed
US-20160122300-A1 ACETYLCHOLINESTERASE INHIBITOR COMPOUNDS AND 5HT4 SEROTONERGIC RECEPTOR AGONISTS, WITH PROMNSIA EFFECT, METHODS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME UNIVERSITE DE CAEN (FR) 2016-05-05 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-20160122300-A1 ACETYLCHOLINESTERASE INHIBITOR COMPOUNDS AND 5HT4 SEROTONERGIC RECEPTOR AGONISTS, WITH PROMNSIA EFFECT, METHODS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME HTR4, CHRNA4, CHRNB4 ALDH1A1 781/4885LMNA 1265/4885CES2 398/4885

“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.