SCHEMBL17447173

SCHEMBL17447173

CC(C)(C)CCC(=O)OCCC(=O)OCCC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

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
DNM1 Q05193 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
STING1 Q86WV6 1/20 0.31
CYP2C19 P33261 1/20 0.31
EPHX2 P34913 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
SCHEMBL10014001 0.88 HDAC6 (0.37) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL754509 0.86 ADRA2A (0.42) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL18885533 0.84 DGKA (0.35) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL12914653 0.82 ADRA2A (0.38) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL21202243 0.81 HTR2C (0.40) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL21202241 0.80 HTR2C (0.42) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL25762064 0.80 ADRA2A (0.39) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL14435883 0.80 ADRA2A (0.39) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL25792122 0.78 DGKA (0.39) ADRA2AADRA1AMAPTBLMDGKA
SCHEMBL14286296 0.78 DGKA (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170145126-A1 ACRYLIC ACID PRODUCTION METHODS NOVOMER, INC. (US) 2017-05-25 US disclosed
US-20160016876-A1 ACRYLIC ACID PRODUCTION METHODS NOVOMER, INC. 2016-01-21 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-20170145126-A1 ACRYLIC ACID PRODUCTION METHODS ASS1, COASY, GGPS1 ADRA2A 3999/4885ADRA1A 3628/4885MAPT 2462/4885
US-20160016876-A1 ACRYLIC ACID PRODUCTION METHODS ASS1, COASY, GGPS1 ADRA2A 3999/4885ADRA1A 3628/4885MAPT 2462/4885

“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.