SCHEMBL825469

SCHEMBL825469

CCCCCCCCCCCCCCC(=O)ONC(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.53
LMNA P02545 2/20 0.50
CNR2 P34972 1/20 0.49
PAM P19021 2/20 0.48
SPHK2 Q9NRA0 1/20 0.48
SPHK1 Q9NYA1 1/20 0.48
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.47
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
TSHR P16473 2/20 0.46
MEN1 O00255 1/20 0.46
FAAH O00519 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL28133365 1.00 DGKA (0.53) DGKALMNACNR2PAMSPHK2
SCHEMBL1180260 1.00 DGKA (0.53) DGKALMNACNR2PAMSPHK2
SCHEMBL1179755 1.00 DGKA (0.53) DGKALMNACNR2PAMSPHK2
SCHEMBL9273172 1.00 DGKA (0.53) DGKALMNACNR2PAMSPHK2
SCHEMBL27838257 0.98 DGKA (0.52) DGKALMNACNR2PAMSPHK2
SCHEMBL11254862 0.98 DGKA (0.50) DGKALMNACNR2PAMSPHK2
SCHEMBL27668283 0.94 DGKA (0.48) DGKALMNACNR2PAMSPHK2
SCHEMBL2172442 0.92 CES1 (0.42) DGKALMNACNR2PAMSPHK2
SCHEMBL9276219 0.90 CNR2 (0.64) LMNACNR2MAPTMEN1FAAH
SCHEMBL27500866 0.89 TSHR (0.40) DGKALMNACNR2PAMMAPT

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-20140179936-A1 EPOXIDATION OF GLYCEROL AND DERIVATIVES THEREFROM AEL MINING SERVICES LIMITED (ZA) 2014-06-26 US disclosed
US-8558038-B2 Epoxidation of glycerol and derivatives therefrom AEL MINING SERVICES LIMITED (ZA) 2013-10-15 US disclosed
US-20130090497-A1 EPOXIDATION OF GLYCEROL AND DERIVATIVES THEREFROM AEL MINING SERVICES LIMITED (ZA) 2013-04-11 US disclosed
WO-2012003519-A1 EPOXIDATION OF GLYCEROL AND DERIVATIVES THEREFROM AEL MINING SERVICES LIMITED (ZA) 2012-01-05 WO 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 (2 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-20140179936-A1 EPOXIDATION OF GLYCEROL AND DERIVATIVES THEREFROM GK, UGCG, GYPA DGKA 53/4885LMNA 2360/4885CNR2 714/4885
US-20130090497-A1 EPOXIDATION OF GLYCEROL AND DERIVATIVES THEREFROM GK, UGCG, GYPA DGKA 53/4885LMNA 2360/4885CNR2 714/4885

“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.