SCHEMBL23405409

SCHEMBL23405409

CC(C)(C)OC(=O)COCCCCCOCCOCCOCCOCC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.43
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
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
PLA2G4B P0C869 2/20 0.32
APLNR P35414 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 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) CES2MEN1THRBHTTKMT2A
SCHEMBL20535026 0.96 CES2 (0.39) CES2MEN1THRBHTTKMT2A
SCHEMBL20535562 0.96 CES2 (0.43) CES2MEN1THRBHTTKMT2A
SCHEMBL23405395 0.96 CES2 (0.41) CES2MEN1THRBHTTKMT2A
SCHEMBL7687656 0.93 CES2 (0.55) CES2MEN1THRBHTTKMT2A
SCHEMBL20535616 0.92 APLNR (0.35) CES2TDP1CA12CA2APLNR
SCHEMBL25182441 0.92 APLNR (0.35) CES2TDP1CA12CA2APLNR
SCHEMBL20535201 0.92 APLNR (0.35) CES2TDP1CA12CA2APLNR
SCHEMBL20535618 0.92 APLNR (0.35) CES2TDP1CA12CA2APLNR
SCHEMBL20573586 0.91 CES2 (0.38) CES2MEN1THRBHTTKMT2A

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
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

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 2101/4885MEN1 3139/4885THRB 808/4885
US-11261179-B2 Small molecules ADRM1, MDM2, UBE2B CES2 2101/4885MEN1 3139/4885THRB 808/4885
US-20210163469-A1 SMALL MOLECULES ADRM1, MDM2, UBE2B CES2 2101/4885MEN1 3139/4885THRB 808/4885

“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.