SCHEMBL5160401

SCHEMBL5160401

COC(=O)CC(=O)c1coc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 2/20 0.45
MAOA P21397 2/20 0.45
ADORA2B P29275 3/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL5158194 0.87 MAOB (0.60) MAOBNPC1MAPTRAB9AL3MBTL1
SCHEMBL5163512 0.85 MAOB (0.46) MAOBNPC1MAPTRAB9AL3MBTL1
SCHEMBL7097686 0.85 NPC1 (0.46) MAOBNPC1MAPTRAB9AL3MBTL1
SCHEMBL7100719 0.81 MAOB (0.50) MAOBNPC1MAPTRAB9AL3MBTL1
SCHEMBL5158204 0.81 MAOB (0.50) MAOBNPC1MAPTRAB9AMAOA
SCHEMBL24170723 0.80 MAOB (0.55) MAOBNPC1MAPTRAB9AL3MBTL1
SCHEMBL72202 0.80 MAOB (0.55) MAOBNPC1MAPTRAB9AL3MBTL1
SCHEMBL29918465 0.80 MAOB (0.55) MAOBNPC1MAPTRAB9AL3MBTL1
SCHEMBL5158448 0.80 MAOB (0.49) MAOBNPC1MAPTRAB9AL3MBTL1
SCHEMBL14033472 0.79 MAOB (0.49) MAOBNPC1MAPTRAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293899-B2 Ketone transfer hydrogenation of stereoisomerically enriched 3-heteroaryl-3-oxocarboxylic esters by reducing 3-heteroaryl-3-hydroxycarboxylic esters in the presence of a ruthenium-containing catalyst, an amine and formic acid and/or formates LANXESS DEUTSCHLAND GMBH (DE) 2012-10-23 US disclosed
EP-1340746-B1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives SALTIGO GMBH (DE) 2007-02-28 EP disclosed
US-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2003-12-04 US disclosed
EP-1340746-A1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives BAYER AG (DE) 2003-09-03 EP 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-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives GRHPR, HPD, HAAO MAOB 330/4885NPC1 2400/4885MAPT 4661/4885

“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.