SCHEMBL20535562

SCHEMBL20535562

CC(C)(C)OC(=O)COCCCOCCCCCOCCCOCC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.43
TLR2 O60603 1/20 0.35
TLR1 Q15399 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
PLA2G4B P0C869 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL22951264 0.98 CES2 (0.44) CES2TLR2TLR1L3MBTL1TDP1
SCHEMBL20535026 0.96 CES2 (0.39) CES2TLR2TLR1L3MBTL1TDP1
SCHEMBL23405409 0.96 CES2 (0.43) CES2TLR2TLR1L3MBTL1TDP1
SCHEMBL23405395 0.96 CES2 (0.41) CES2TLR2TLR1L3MBTL1TDP1
SCHEMBL17946910 0.93 CES2 (0.55) CES2MEN1THRBHTTKMT2A
SCHEMBL17941118 0.93 TDP1 (0.45) CES2TLR2TLR1L3MBTL1TDP1
SCHEMBL24675407 0.91 CES2 (0.38) CES2TLR2TLR1L3MBTL1TDP1
SCHEMBL23302421 0.91 CES2 (0.38) CES2TLR2TLR1L3MBTL1CA12
SCHEMBL23302878 0.91 CES2 (0.38) CES2TLR2TLR1L3MBTL1TDP1
SCHEMBL17941044 0.91 CYP4F2 (0.45) CES2TLR2TLR1L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110573507-B Small molecules 邓迪大学 2023-11-14 CN disclosed
EP-3609889-B1 SMALL MOLECULES UNIV DUNDEE (GB) 2023-07-05 EP disclosed
EP-3609889-B1 SMALL MOLECULES UNIV DUNDEE (GB) 2023-07-05 EP disclosed
US-20220127257-A1 SMALL MOLECULES UNIVERSITY OF DUNDEE (GB) 2022-04-28 US disclosed
US-20220127257-A1 SMALL MOLECULES UNIVERSITY OF DUNDEE (GB) 2022-04-28 US disclosed
US-11261179-B2 Small molecules UNIVERSITY OF DUNDEE (GB) 2022-03-01 US disclosed
US-20210163469-A1 SMALL MOLECULES UNIVERSITY OF DUNDEE (GB) 2021-06-03 US disclosed
US-20210163469-A1 SMALL MOLECULES UNIVERSITY OF DUNDEE (GB) 2021-06-03 US disclosed
EP-3609889-A1 SMALL MOLECULES University Of Dundee (GB) 2020-02-19 EP disclosed
CN-110573507-A small molecules 邓迪大学 2019-12-13 CN disclosed
WO-2018189554-A1 SMALL MOLECULES UNIVERSITY OF DUNDEE (GB) 2018-10-18 WO 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 (3 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-20220127257-A1 SMALL MOLECULES ADRM1, MDM2, UBE2B CES2 2101/4885TLR2 3968/4885TLR1 3206/4885
US-11261179-B2 Small molecules ADRM1, MDM2, UBE2B CES2 2101/4885TLR2 3968/4885TLR1 3206/4885
US-20210163469-A1 SMALL MOLECULES ADRM1, MDM2, UBE2B CES2 2101/4885TLR2 3968/4885TLR1 3206/4885

“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.