SCHEMBL23925798

SCHEMBL23925798

Cc1cc2c(cc1-c1ccccc1)OC(=O)C2

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.42
MAOA P21397 2/20 0.42
ESR2 Q92731 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
DHFR P00374 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL23925875 0.94 MAOB (0.42) MAOBMAOAESR2PDE3BPDE3A
SCHEMBL11390374 0.83 MAOA (0.43) MAOBMAOAKDM4E
SCHEMBL27671997 0.77 ALDH2 (0.40) MAOBMAOA
SCHEMBL11724968 0.73 TDP2 (0.46) MAOBMAOA
SCHEMBL13646691 0.71 MAOA (0.37) MAOBMAOAKDM4E
SCHEMBL11482985 0.71 ESR2 (0.40) ESR2PDE3BPDE3ADHFRKDM4E
SCHEMBL13283638 0.71 MAOA (0.42) MAOBMAOA
SCHEMBL21437454 0.71 MAOA (0.49) MAOBMAOAKDM4E
SCHEMBL30358691 0.71 MAOA (0.49) MAOBMAOAKDM4E
SCHEMBL12722842 0.69 PTGS2 (0.48) ESR2PDE3BPDE3AADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2023-04-20 US claimed
WO-2021211982-A2 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2021-10-21 WO claimed
US-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2023-04-20 US disclosed
WO-2021211982-A2 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2021-10-21 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 (1 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-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS CYP2B6, TYR, CYP2D6 MAOB 52/4885MAOA 142/4885ESR2 756/4885

“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.