SCHEMBL12199291

SCHEMBL12199291

COCCC(=O)OCCOC(=O)CCOC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.50
ADRA2A P08913 1/20 0.48
ADRA1A P35348 1/20 0.48
MAPT P10636 1/20 0.46
BLM P54132 1/20 0.46
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 4/20 0.41
ALDH1A1 P00352 1/20 0.41
DNM1 Q05193 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR2C P28335 1/20 0.35
NAAA Q02083 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP1A2 P05177 1/20 0.34
APP P05067 1/20 0.34

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
SCHEMBL22662461 0.91 DGKA (0.43) DGKAADRA2AADRA1AMAPTBLM
SCHEMBL813361 0.89 ADRA2A (0.54) DGKAADRA2AADRA1AMAPTBLM
SCHEMBL141329 0.87 DGKA (0.50) DGKAADRA2AADRA1AMAPTBLM
SCHEMBL28222618 0.87 ALDH1A1 (0.52) DGKAADRA2AADRA1AMAPTBLM
SCHEMBL1760113 0.87 MGLL (0.43) DGKAADRA2AADRA1AMAPTBLM
SCHEMBL107227 0.84
SCHEMBL813905 0.84 DGKA (0.58) DGKAADRA2AADRA1AMAPTBLM
SCHEMBL1033327 0.84 DGKA (0.64) DGKAADRA2AADRA1AMAPTBLM
SCHEMBL813660 0.84 DGKA (0.58) DGKAADRA2AADRA1AMAPTBLM
SCHEMBL11355793 0.84 ADRA2A (0.40) DGKAADRA2AADRA1AMAPTBLM

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-20110251430-A1 METHOD FOR PRODUCING BETA-ALKOXYPROPIONAMIDE IDEMITSU KOSAN CO., LTD. (JP) 2011-10-13 US disclosed
US-20110251430-A1 METHOD FOR PRODUCING BETA-ALKOXYPROPIONAMIDE IDEMITSU KOSAN CO., LTD. (JP) 2011-10-13 US disclosed
EP-2374789-A1 METHOD FOR PRODUCING BETA-ALKOXYPROPIONAMIDE Idemitsu Kosan Co., Ltd. (JP) 2011-10-12 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-20110251430-A1 METHOD FOR PRODUCING BETA-ALKOXYPROPIONAMIDE NAAA, APEH, ACSL3 DGKA 550/4885ADRA2A 290/4885ADRA1A 295/4885

“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.