SCHEMBL822002

SCHEMBL822002

COCCCOC(=O)CCCCCCCCCCC(=O)OCCCCO

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
DGKA P23743 1/20 0.50
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
DNM1 Q05193 1/20 0.42
NAAA Q02083 1/20 0.41
ACHE P22303 6/20 0.41
HTR2C P28335 1/20 0.41
GAA P10253 1/20 0.40
P2RY10 O00398 3/20 0.39
GPR34 Q9UPC5 1/20 0.39

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
SCHEMBL5707863 0.98 DGKA (0.52) ALDH1A1DGKAPRSS1PRSS2PRSS3
SCHEMBL12375161 0.94 DGKA (0.57) ALDH1A1DGKAPRSS1PRSS2PRSS3
SCHEMBL15025025 0.93 DGKA (0.55) ALDH1A1DGKAPRSS1PRSS2PRSS3
SCHEMBL25967079 0.91 ALDH1A1 (0.53) ALDH1A1DGKADNM1ACHEGAA
SCHEMBL821433 0.89 DGKA (0.52) ALDH1A1DGKAPRSS1PRSS2PRSS3
SCHEMBL10001061 0.89 DGKA (0.59) ALDH1A1DGKAPRSS1PRSS2PRSS3
SCHEMBL10918414 0.88 DGKA (0.56) ALDH1A1DGKAPRSS1PRSS2PRSS3
SCHEMBL13343463 0.88 ALDH1A1 (0.58) ALDH1A1DGKAPRSS1PRSS2PRSS3
SCHEMBL2299235 0.88 DGKA (0.56) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL6651939 0.88 DGKA (0.56) DGKAPRSS1PRSS2PRSS3DNM1

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 ALDH1A1 333/4885DGKA 1315/4885PRSS1 649/4885

“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.