SCHEMBL821822

SCHEMBL821822

CC(O)CCC(=O)OCCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.43
ADRA1A P35348 1/20 0.43
MAPT P10636 2/20 0.42
BLM P54132 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MGLL Q99685 1/20 0.40
DGKA P23743 1/20 0.36
TSHR P16473 1/20 0.34
CYP19A1 P11511 1/20 0.34
KDM4E B2RXH2 1/20 0.33
DUSP3 P51452 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP3A4 P08684 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33

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
SCHEMBL821930 0.88 MGLL (0.45) ADRA2AADRA1AMAPTBLMALDH1A1
SCHEMBL2531971 0.85 CA1 (0.43) ADRA2AADRA1AMAPTBLMALDH1A1
SCHEMBL23078940 0.85 MAPT (0.46) ADRA2AADRA1AMAPTBLMALDH1A1
SCHEMBL17928371 0.85 MAPT (0.50) ADRA2AADRA1AMAPTALDH1A1MGLL
SCHEMBL30173728 0.83 ADRA2A (0.43) ADRA2AADRA1AMAPTBLMALDH1A1
SCHEMBL310867 0.83 MAPT (0.47) ADRA2AADRA1AMAPTBLMALDH1A1
SCHEMBL1743791 0.82 ADRA2A (0.42) ADRA2AADRA1AMAPTBLMALDH1A1
SCHEMBL22028559 0.80 ADRA2A (0.54) ADRA2AADRA1AMAPTBLMALDH1A1
SCHEMBL1830290 0.80 MGLL (0.38) ADRA2AADRA1AMAPTBLMALDH1A1
SCHEMBL10583483 0.80 MAPT (0.44) ADRA2AADRA1AMAPTBLMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110287102-A1 CHAIN EXTENDERS POLYNOVO BIOMATERIALS PTY LIMITED (AU) 2011-11-24 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-20110287102-A1 CHAIN EXTENDERS UMPS, PUF60, SMCHD1 ADRA2A 2333/4885ADRA1A 1186/4885MAPT 826/4885

“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.