SCHEMBL23854095

SCHEMBL23854095

COC(=O)C1(O)CC(C)(C)N(O)C(C)(C)C1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 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
SCHEMBL1813248 0.79 POLB (0.38) KMT2ALMNAALDH1A1
SCHEMBL11451436 0.77 MEN1 (0.30) MEN1KMT2A
SCHEMBL1810200 0.76 NPSR1 (0.33) MEN1KMT2ALMNANPSR1CYP3A4
SCHEMBL11391284 0.76 CYP4F2 (0.33)
SCHEMBL5697628 0.76 ALDH1A1 (0.30) ALDH1A1
SCHEMBL18329678 0.74 PKM (0.43) KMT2A
SCHEMBL11642460 0.73 MAPT (0.31) MEN1KMT2AALDH1A1CYP3A4
SCHEMBL11490346 0.72 MEN1 (0.34) MEN1KMT2ALMNANPSR1
SCHEMBL289296 0.71
SCHEMBL390361 0.69

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 3854/4885KMT2A 4637/4885LMNA 2297/4885
US-20210300937-A1 Novel Labelled Cannabinergic Ligands and Related Analogs CNR1, CNR2, CHRND MEN1 4141/4885KMT2A 4575/4885LMNA 2590/4885

“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.