SCHEMBL821878

SCHEMBL821878

O=C(CCCCO)OCCOCCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.50
DGKA P23743 1/20 0.50
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.43
TSHR P16473 4/20 0.42
MAPK1 P28482 1/20 0.42
MGLL Q99685 1/20 0.40
GPR84 Q9NQS5 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
DNM1 Q05193 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 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
SCHEMBL821880 0.98 DGKA (0.53) EPHX2DGKAMEN1KMT2AGAA
SCHEMBL822406 0.98 DGKA (0.53) EPHX2DGKAMEN1KMT2AGAA
SCHEMBL822274 0.98 DGKA (0.53) EPHX2DGKAMEN1KMT2AGAA
SCHEMBL11579370 0.96 DGKA (0.54) EPHX2DGKAMEN1KMT2AGAA
SCHEMBL207583 0.96 DGKA (0.54) EPHX2DGKAMEN1KMT2AGAA
SCHEMBL2922616 0.96 DGKA (0.54) EPHX2DGKAMEN1KMT2AGAA
SCHEMBL6417620 0.96 DGKA (0.54) EPHX2DGKAMEN1KMT2AGAA
SCHEMBL822405 0.94 MEN1 (0.48) EPHX2DGKAMEN1KMT2AGAA
SCHEMBL1863163 0.94 DGKA (0.52) EPHX2DGKAMEN1KMT2AGAA
SCHEMBL9003333 0.94 DGKA (0.57) EPHX2DGKAMEN1KMT2AGAA

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 2 patents. 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
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 EPHX2 1813/4885DGKA 1315/4885MEN1 1922/4885

“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.