SCHEMBL16017828

SCHEMBL16017828

CC(C)(C)CCCOC(=O)CCC(=O)OCC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.41
ADRA1A P35348 1/20 0.41
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
HTR2C P28335 1/20 0.39
DGKA P23743 1/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NAAA Q02083 1/20 0.34
RAD52 P43351 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DNM1 Q05193 1/20 0.33
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
CYP2C19 P33261 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL21016021 0.86 DGKA (0.38) ADRA2AADRA1AMAPTDGKAMEN1
SCHEMBL10031825 0.86 HTR2C (0.46) ADRA2AADRA1AMAPTBLMHTR2C
SCHEMBL27631198 0.85 CYP1A2 (0.47) ADRA2AADRA1AMAPTBLMHTR2C
SCHEMBL16944248 0.84 DGKA (0.41) MAPTDGKAMEN1KMT2ADNM1
SCHEMBL2485813 0.83 ADRA2A (0.42) ADRA2AADRA1AMAPTBLMHTR2C
SCHEMBL16018396 0.83 ADRA2A (0.39) ADRA2AADRA1AMAPTBLMHTR2C
SCHEMBL17581525 0.82 DGKA (0.44) MAPTDGKAMEN1KMT2ADNM1
SCHEMBL21016197 0.81 ADRA2A (0.33) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL16017798 0.80 ADRA2A (0.37) ADRA2AADRA1AMAPTBLMHTR2C
SCHEMBL8832710 0.80 ADRA2A (0.43) ADRA2AADRA1AMAPTBLMHTR2C

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-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-20140256651-A1 Cyclosporine A steroid conjugates ALLERGAN, INC. (US) 2014-09-11 US disclosed
US-20140256696-A1 Steroid conjugates ALLERGAN, INC. (US) 2014-09-11 US disclosed
US-20140256658-A1 Antibiotic 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.