SCHEMBL23970511

SCHEMBL23970511

CC(C)(C)OC(=O)CCCOCCCO

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
CYP4F2 P78329 3/20 0.40
CYP4A11 Q02928 3/20 0.40
GAA P10253 1/20 0.37
EPHX2 P34913 1/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC3 O15379 1/20 0.35
TSHR P16473 2/20 0.34
STING1 Q86WV6 1/20 0.33
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
DGKA P23743 1/20 0.31
VCAM1 P19320 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
SCHEMBL29132576 0.94 CYP4F2 (0.46) TDP1CYP4F2CYP4A11GAAEPHX2
SCHEMBL29132578 0.94 GAA (0.43) TDP1CYP4F2CYP4A11GAAEPHX2
SCHEMBL22367525 0.92 TSHR (0.43) TDP1CYP4F2CYP4A11GAAEPHX2
SCHEMBL21634225 0.92 TDP1 (0.41) TDP1CYP4F2CYP4A11GAAEPHX2
SCHEMBL12286717 0.91 MEN1 (0.42) TDP1CYP4F2CYP4A11GAAEPHX2
SCHEMBL31110229 0.91 MEN1 (0.42) TDP1CYP4F2CYP4A11GAAEPHX2
SCHEMBL25311809 0.91 TDP1 (0.40) TDP1CYP4F2CYP4A11GAAEPHX2
SCHEMBL25445235 0.89 GAA (0.50) TDP1CYP4F2CYP4A11GAAEPHX2
SCHEMBL19889534 0.89 GAA (0.50) TDP1CYP4F2CYP4A11GAAEPHX2
SCHEMBL29902211 0.89 GAA (0.50) TDP1CYP4F2CYP4A11GAAEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11833208-B2 PLK1 selective degradation inducing compound UPPTHERA, INC. (KR) 2023-12-05 US disclosed
US-20230372498-A1 PLK1 SELECTIVE DEGRADATION INDUCING COMPOUND UPPTHERA (KR) 2023-11-23 US disclosed
WO-2021222353-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2021-11-04 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 (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-20230372498-A1 PLK1 SELECTIVE DEGRADATION INDUCING COMPOUND PLK1, BUB1B, BUB1 TDP1 1279/4885CYP4F2 4697/4885CYP4A11 3559/4885
US-11833208-B2 PLK1 selective degradation inducing compound PLK1, BUB1B, BUB1 TDP1 1279/4885CYP4F2 4697/4885CYP4A11 3559/4885

“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.