SCHEMBL16019104

SCHEMBL16019104

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.36
ADRA1A P35348 1/20 0.36
MAPT P10636 1/20 0.35
BLM P54132 1/20 0.35
DGKA P23743 1/20 0.34
PRKCA P17252 1/20 0.31
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
BTN3A1 O00481 2/20 0.30

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
SCHEMBL16019101 1.00 ADRA2A (0.36) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL16017788 1.00 ADRA2A (0.36) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL16017781 1.00 ADRA2A (0.36) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL16017779 0.89 ADRA2A (0.43) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL16017894 0.89 ADRA2A (0.43) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL16017768 0.89 PRKCA (0.36) ADRA2AADRA1AMAPTBLMPRKCA
SCHEMBL16017769 0.89 ADRA2A (0.43) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL18116116 0.88 ADRA2A (0.42) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL16019103 0.87 HTR2C (0.41) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL16019695 0.87

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 ADRA2A 4665/4885ADRA1A 4225/4885MAPT 2636/4885
US-20140256651-A1 Cyclosporine A steroid conjugates CYP21A2, CHP1, CYP51A1 ADRA2A 2407/4885ADRA1A 1692/4885MAPT 4019/4885

“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.