SCHEMBL5163512

SCHEMBL5163512

CC(C)(C)OC(=O)CC(=O)c1coc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.46
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAOA P21397 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADORA2B P29275 2/20 0.41
CACNA1H O95180 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
SCHEMBL5160401 0.85 MAOB (0.50) MAOBMAPTNPC1RAB9AMAOA
SCHEMBL5158194 0.82 MAOB (0.60) MAOBMAPTNPC1RAB9AMAOA
SCHEMBL7097686 0.81 NPC1 (0.46) MAOBMAPTNPC1RAB9AMAOA
SCHEMBL12911141 0.77 PSMB5 (0.47) MAOBMAPTL3MBTL1
SCHEMBL7100719 0.77 MAOB (0.50) MAOBMAPTNPC1RAB9AMAOA
SCHEMBL5158204 0.76 MAOB (0.50) MAOBMAPTNPC1RAB9AMAOA
SCHEMBL24170723 0.76 MAOB (0.55) MAOBMAPTNPC1RAB9AMAOA
SCHEMBL29918465 0.76 MAOB (0.55) MAOBMAPTNPC1RAB9AMAOA
SCHEMBL5158448 0.75 MAOB (0.49) MAOBMAPTNPC1RAB9AMAOA
SCHEMBL7139284 0.75 NPC1 (0.37) NPC1RAB9A

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 330/4885MAPT 4661/4885NPC1 2400/4885

“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.