SCHEMBL23872035

SCHEMBL23872035

COC(=O)CCCNC(=O)c1cc2cc3c4c(c2oc1=O)CCCN4CCC3

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 1/20 0.60
▸ ALDH1A1 P00352 11/20 0.47
▸ USP2 O75604 7/20 0.47
▸ MEN1 O00255 6/20 0.47
▸ KMT2A Q03164 6/20 0.47
▸ CASP1 P29466 4/20 0.47
▸ CASP7 P55210 4/20 0.47
▸ GAA P10253 4/20 0.47
▸ HSD17B10 Q99714 4/20 0.47
▸ LMNA P02545 3/20 0.47
▸ ALOX15 P16050 3/20 0.47
▸ BRCA1 P38398 2/20 0.47
▸ HBB P68871 2/20 0.47
▸ ATM Q13315 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ KDM4E B2RXH2 5/20 0.46

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
SCHEMBL13238296 0.96 SLC16A3 (0.58) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL23872036 0.90 SLC16A3 (0.67) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL13238301 0.86 SLC16A3 (0.55) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL13238299 0.86 SLC16A3 (0.64) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL18517777 0.85 SLC16A3 (0.66) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL13238317 0.85 SLC16A3 (0.69) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL13238303 0.85 SLC16A3 (0.58) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL18712645 0.85 SLC16A3 (0.57) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL2956918 0.84 SLC16A3 (0.67) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL16900679 0.84 SLC16A3 (0.70) SLC16A3ALDH1A1USP2MEN1KMT2A

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-11746113-B2 Labelled cannabinergic ligands and related analogs MAKRIYANNIS ALEXANDROS (US) 2023-09-05 — — US disclosed
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 SLC16A3 3343/4885ALDH1A1 4054/4885USP2 3796/4885
US-20210300937-A1 Novel Labelled Cannabinergic Ligands and Related Analogs CNR1, CNR2, CHRND SLC16A3 3192/4885ALDH1A1 3979/4885USP2 3597/4885

“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.

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