SCHEMBL18836742

SCHEMBL18836742

CCCCCCCCC1OC1CCCCCCCC(=O)OCCCCCCOC(=O)CCCCCCCC1OC1CCCCCCCC

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.62
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
NAAA Q02083 1/20 0.53
DNM1 Q05193 1/20 0.53
HTR2C P28335 1/20 0.51
PRKCA P17252 2/20 0.49
PAM P19021 2/20 0.49
EPHX2 P34913 1/20 0.48
TSHR P16473 1/20 0.46
MAPT P10636 1/20 0.46
RAD52 P43351 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FAAH O00519 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL17212331 1.00 DGKA (0.62) DGKAPRSS1PRSS2PRSS3NAAA
SCHEMBL7941998 1.00 DGKA (0.62) DGKAPRSS1PRSS2PRSS3NAAA
SCHEMBL11908231 1.00 DGKA (0.62) DGKAPRSS1PRSS2PRSS3NAAA
SCHEMBL3693883 1.00 DGKA (0.62) DGKAPRSS1PRSS2PRSS3NAAA
SCHEMBL11909432 1.00 DGKA (0.62) DGKAPRSS1PRSS2PRSS3NAAA
SCHEMBL11908905 1.00 DGKA (0.62) DGKAPRSS1PRSS2PRSS3NAAA
SCHEMBL5730879 1.00 DGKA (0.62) DGKAPRSS1PRSS2PRSS3NAAA
SCHEMBL15963994 1.00 DGKA (0.62) DGKAPRSS1PRSS2PRSS3NAAA
SCHEMBL9706868 1.00 DGKA (0.62) DGKAPRSS1PRSS2PRSS3NAAA
SCHEMBL11433305 1.00 DGKA (0.62) DGKAPRSS1PRSS2PRSS3NAAA

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-10125337-B2 Branched diesters and methods of making and using the same TRENT UNIVERSITY (CA) 2018-11-13 US disclosed
US-20170137739-A1 BRANCHED DIESTERS AND METHODS OF MAKING AND USING THE SAME TRENT UNIVERSITY (CA) 2017-05-18 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 (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-10125337-B2 Branched diesters and methods of making and using the same DGKG, SQLE, DGAT2 DGKA 4/4885PRSS1 4274/4885PRSS2 3592/4885
US-20170137739-A1 BRANCHED DIESTERS AND METHODS OF MAKING AND USING THE SAME ELOVL3, SCD, PTGER3 DGKA 19/4885PRSS1 3833/4885PRSS2 3575/4885

“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.