SCHEMBL821615

SCHEMBL821615

COCCCCCC(=O)OCCOCCOCCOCCO

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.52
EPHX2 P34913 2/20 0.51
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
THRB P10828 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.44
DNM1 Q05193 1/20 0.40
MGLL Q99685 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
GAA P10253 1/20 0.38
PAM P19021 2/20 0.36
KDM4E B2RXH2 1/20 0.36
DUSP3 P51452 1/20 0.36
LMNA P02545 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL821433 0.93 DGKA (0.52) DGKAEPHX2ALDH1A1MEN1KMT2A
SCHEMBL21659321 0.93 EPHX2 (0.50) DGKAEPHX2ALDH1A1MEN1KMT2A
SCHEMBL12417283 0.93 DGKA (0.59) DGKAEPHX2ALDH1A1MAPTDNM1
SCHEMBL13751390 0.91 DGKA (0.57) DGKAEPHX2ALDH1A1MAPTDNM1
SCHEMBL14314266 0.89 DGKA (0.53) DGKAEPHX2ALDH1A1MEN1KMT2A
SCHEMBL1532510 0.89 DGKA (0.57) DGKAEPHX2MEN1KMT2ATHRB
SCHEMBL28474000 0.89 DGKA (0.57) DGKAEPHX2MEN1KMT2ATHRB
SCHEMBL11108133 0.89 DGKA (0.57) DGKAEPHX2MEN1KMT2ATHRB
SCHEMBL9003333 0.89 DGKA (0.57) DGKAEPHX2MEN1KMT2ATHRB
SCHEMBL28736945 0.89 DGKA (0.57) DGKAEPHX2MEN1KMT2ATHRB

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 DGKA 1315/4885EPHX2 1813/4885ALDH1A1 333/4885

“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.