SCHEMBL16019100

SCHEMBL16019100

CC(C)(C)C(=O)CCC(=O)OCCCCCC(=O)OCCCCCC(=O)OCOC(=O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.43
HTR2C P28335 1/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
DNM1 Q05193 1/20 0.37
NAAA Q02083 1/20 0.36
ADRA2A P08913 1/20 0.34
ADRA1A P35348 1/20 0.34
PAM P19021 2/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
ELANE P08246 3/20 0.33
EPHX2 P34913 3/20 0.33

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
SCHEMBL16019097 1.00 DGKA (0.43) DGKAHTR2CPRSS1PRSS2PRSS3
SCHEMBL16019102 0.97 DGKA (0.43) DGKAHTR2CPRSS1PRSS2PRSS3
SCHEMBL16019103 0.97 HTR2C (0.41) DGKAHTR2CPRSS1PRSS2PRSS3
SCHEMBL16017780 0.89 DGKA (0.50) DGKAHTR2CPRSS1PRSS2PRSS3
SCHEMBL16017768 0.87 PRKCA (0.36) ADRA2AADRA1AMAPTBLM
SCHEMBL16017895 0.87 HTR2C (0.49) DGKAHTR2CPRSS1PRSS2PRSS3
SCHEMBL3833050 0.85 DGKA (0.47) DGKADNM1PAMMAPTELANE
SCHEMBL16021212 0.84 DGKA (0.43) DGKAHTR2CPRSS1PRSS2PRSS3
SCHEMBL16019104 0.84 ADRA2A (0.36) DGKAADRA2AADRA1AMAPTBLM
SCHEMBL16019101 0.84 ADRA2A (0.36) DGKAADRA2AADRA1AMAPTBLM

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-20140256658-A1 Antibiotic Conjugates ALLERGAN, INC. (US) 2014-09-11 US disclosed
US-20140256651-A1 Cyclosporine A steroid conjugates ALLERGAN, INC. (US) 2014-09-11 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-20140256658-A1 Antibiotic Conjugates NAALAD2, DNPEP, ENGASE DGKA 3357/4885HTR2C 4763/4885PRSS1 419/4885
US-20140256651-A1 Cyclosporine A steroid conjugates CYP21A2, CHP1, CYP51A1 DGKA 2991/4885HTR2C 4223/4885PRSS1 139/4885

“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.