SCHEMBL23854029

SCHEMBL23854029

CC(C)(C)OC(=O)NCCCC(C)(C)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
GAA P10253 1/20 0.60
KMT2A Q03164 1/20 0.60
TDP1 Q9NUW8 1/20 0.59
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
CA1 P00915 7/20 0.49
CA2 P00918 7/20 0.49
CA12 O43570 6/20 0.49
CA9 Q16790 6/20 0.49
GUCY1A1 Q02108 1/20 0.43
GUCY1B1 Q02153 1/20 0.43
EPHX1 P07099 1/20 0.42
ACLY P53396 1/20 0.42
HTT P42858 1/20 0.41
STK17B O94768 1/20 0.41
STK17A Q9UEE5 1/20 0.41
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
DRD2 P14416 2/20 0.40

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
SCHEMBL23854313 0.95 TDP1 (0.62) MEN1GAAKMT2ATDP1MAOA
SCHEMBL3952768 0.89 MEN1 (0.54) MEN1GAAKMT2ATDP1MAOA
SCHEMBL8634208 0.84 MEN1 (0.58) MEN1GAAKMT2ATDP1MAOA
SCHEMBL23854076 0.84 TDP1 (0.57) MEN1GAAKMT2ATDP1MAOA
SCHEMBL11988214 0.83 TDP1 (0.65) MEN1GAAKMT2ATDP1MAOA
SCHEMBL8633773 0.83 MEN1 (0.57) MEN1GAAKMT2ATDP1MAOA
SCHEMBL569251 0.82 TDP1 (0.74) MEN1GAAKMT2ATDP1MAOA
SCHEMBL3020258 0.82 TDP1 (0.81) MEN1GAAKMT2ATDP1MAOA
SCHEMBL8259998 0.82 MEN1 (0.53) MEN1GAAKMT2ATDP1MAOA
SCHEMBL8270471 0.81 TDP1 (0.62) MEN1GAAKMT2ATDP1MAOA

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-11746113-B2 Labelled cannabinergic ligands and related analogs MAKRIYANNIS ALEXANDROS (US) 2023-09-05 US disclosed
US-20210300937-A1 Novel Labelled Cannabinergic Ligands and Related Analogs MAKRIYANNIS ALEXANDROS (US) 2021-09-30 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-11746113-B2 Labelled cannabinergic ligands and related analogs CNR1, CNR2, CHRND MEN1 3854/4885GAA 4679/4885KMT2A 4637/4885
US-20210300937-A1 Novel Labelled Cannabinergic Ligands and Related Analogs CNR1, CNR2, CHRND MEN1 4141/4885GAA 4681/4885KMT2A 4575/4885

“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.