SCHEMBL16018396

SCHEMBL16018396

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.39
ADRA1A P35348 1/20 0.39
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
HTR2C P28335 1/20 0.38
DGKA P23743 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NAAA Q02083 1/20 0.33
DNM1 Q05193 1/20 0.32
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 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
SCHEMBL16017895 0.86 HTR2C (0.49) ADRA2AADRA1AMAPTBLMHTR2C
SCHEMBL16017786 0.86 ADRA2A (0.43) ADRA2AADRA1AMAPTBLMHTR2C
SCHEMBL10031825 0.84 HTR2C (0.46) ADRA2AADRA1AMAPTBLMHTR2C
SCHEMBL27631198 0.83 CYP1A2 (0.47) ADRA2AADRA1AMAPTBLMHTR2C
SCHEMBL16017828 0.83 ADRA2A (0.41) ADRA2AADRA1AMAPTBLMHTR2C
SCHEMBL16017794 0.82 ADRA2A (0.37) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL16017798 0.82 ADRA2A (0.37) ADRA2AADRA1AMAPTBLMHTR2C
SCHEMBL16017780 0.81 DGKA (0.50) ADRA2AADRA1AMAPTBLMHTR2C
SCHEMBL19265611 0.80 HTR2C (0.40) ADRA2AADRA1AMAPTBLMHTR2C
SCHEMBL16017779 0.79 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256660-A1 ANTIBIOTIC CONJUGATES LINKED WITH STEROID DRUGS 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 (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-20140256660-A1 ANTIBIOTIC CONJUGATES LINKED WITH STEROID DRUGS CYP21A2, CYP17A1, CYP46A1 ADRA2A 4577/4885ADRA1A 3774/4885MAPT 3692/4885

“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.