SCHEMBL16017779

SCHEMBL16017779

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.43
ADRA1A P35348 1/20 0.43
MAPT P10636 1/20 0.42
BLM P54132 1/20 0.42
DGKA P23743 1/20 0.41
TSHR P16473 4/20 0.34
ALDH1A1 P00352 4/20 0.34
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTR2C P28335 1/20 0.33
EPHX2 P34913 2/20 0.32
DNM1 Q05193 1/20 0.31
THRB P10828 2/20 0.31
MAPK1 P28482 1/20 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
SCHEMBL16017894 1.00 ADRA2A (0.43) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL16017769 1.00 ADRA2A (0.43) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL16017794 0.91 ADRA2A (0.37) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL26304677 0.91 ADRA2A (0.37) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL16019101 0.89 ADRA2A (0.36) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL16019104 0.89 ADRA2A (0.36) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL16017788 0.89 ADRA2A (0.36) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL16017781 0.89 ADRA2A (0.36) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL14665729 0.88 DGKA (0.47) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL12938433 0.88 DGKA (0.52) ADRA2AADRA1AMAPTBLMDGKA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256694-A1 STEROID ANTIBIOTIC CONJUGATES ALLERGAN, INC. (US) 2014-09-11 US disclosed
US-20140256658-A1 Antibiotic Conjugates ALLERGAN, INC. (US) 2014-09-11 US disclosed
US-20140256666-A1 ANTIBIOTIC CONJUGATES WITH NONSTEROIDAL ANTI-INFLAMMATORY DRUGS ALLERGAN, INC. (US) 2014-09-11 US disclosed
US-20140256660-A1 ANTIBIOTIC CONJUGATES LINKED WITH STEROID DRUGS ALLERGAN, INC. (US) 2014-09-11 US disclosed
US-20140256696-A1 Steroid 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 (6 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-20140256666-A1 ANTIBIOTIC CONJUGATES WITH NONSTEROIDAL ANTI-INFLAMMATORY DRUGS MMP17, NAALAD2, DNPEP ADRA2A 4765/4885ADRA1A 4558/4885MAPT 3276/4885
US-20140256694-A1 STEROID ANTIBIOTIC CONJUGATES CYP17A1, CYP21A2, HSD17B1 ADRA2A 4204/4885ADRA1A 3020/4885MAPT 3434/4885
US-20140256660-A1 ANTIBIOTIC CONJUGATES LINKED WITH STEROID DRUGS CYP21A2, CYP17A1, CYP46A1 ADRA2A 4577/4885ADRA1A 3774/4885MAPT 3692/4885
US-20140256658-A1 Antibiotic Conjugates NAALAD2, DNPEP, ENGASE ADRA2A 4665/4885ADRA1A 4225/4885MAPT 2636/4885
US-20140256696-A1 Steroid conjugates CYP21A2, CYP17A1, HSD17B2 ADRA2A 2246/4885ADRA1A 1342/4885MAPT 2769/4885
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.