SCHEMBL14728292

SCHEMBL14728292

CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TLR2 O60603 1/20 0.32
TLR1 Q15399 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
DGKA P23743 1/20 0.31
EPHX2 P34913 1/20 0.31
CTSK P43235 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CYP2D6 P10635 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
SCHEMBL26418533 1.00 STING1 (0.34) STING1ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL12660493 1.00 STING1 (0.34) STING1ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL25695697 1.00 STING1 (0.34) STING1ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL15697678 1.00 STING1 (0.34) STING1ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL12906508 1.00 STING1 (0.34) STING1ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL13573633 1.00 STING1 (0.34) STING1ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL19532910 1.00 STING1 (0.34) STING1ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL19532911 1.00 STING1 (0.34) STING1ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL12092172 0.98 STING1 (0.35) STING1ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL18843243 0.92 STING1 (0.37) STING1HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067640-A1 PHENYL MALEIMIDE LINKER AGENTS FIREFLY BIO, INC. 2024-02-29 US disclosed
US-20230131121-A1 BRANCHED DISCRETE PEG CONSTRUCTS AUDAX PRIVATE DEBT LLC, AS AGENT 2023-04-27 US disclosed
US-20170313656-A1 Branched Discrete PEG Constructs QUANTA BIODESIGN, LTD. 2017-11-02 US disclosed
WO-2015038579-A1 DISCRETE PEG BASED DYES EQUIP, LLC (US) 2015-03-19 WO disclosed
US-20130052130-A1 Branched Discreet PEG Constructs UNIVERSITY OF WASHINGTON (US) 2013-02-28 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 (4 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-20170313656-A1 Branched Discrete PEG Constructs BTD, IDUA, DNPEP STING1 2568/4885ALDH1A1 939/4885HDAC3 1380/4885
US-20230131121-A1 BRANCHED DISCRETE PEG CONSTRUCTS BTD, IDUA, DNPEP STING1 2634/4885ALDH1A1 888/4885HDAC3 1351/4885
US-20240067640-A1 PHENYL MALEIMIDE LINKER AGENTS TPX2, H1-4, MAPT STING1 4055/4885ALDH1A1 4502/4885HDAC3 161/4885
US-20130052130-A1 Branched Discreet PEG Constructs BTD, DNPEP, IDUA STING1 2870/4885ALDH1A1 1014/4885HDAC3 912/4885

“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.