SCHEMBL30782083

SCHEMBL30782083

COc1ccc(COCC23COC(C(F)F)(C2)C3)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ APP P05067 7/20 0.37
▸ IDO1 P14902 3/20 0.36
▸ AGXT P21549 2/20 0.36
▸ HDAC4 P56524 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TBXAS1 P24557 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ P2RX4 Q99571 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ SLC6A4 P31645 1/20 0.32

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
SCHEMBL30782065 0.78 IDO1 (0.37) CA1CA2APPIDO1AGXT
SCHEMBL30782098 0.78 CA1 (0.39) CA1CA2APPIDO1AGXT
SCHEMBL30782113 0.77 IDO1 (0.36) CA1CA2APPIDO1AGXT
SCHEMBL30782135 0.77 IDO1 (0.36) CA1CA2APPIDO1AGXT
SCHEMBL213722 0.68 IDO1 (0.43) CA1CA2APPIDO1AGXT
SCHEMBL16838791 0.67 IDO1 (0.48) CA1CA2APPIDO1AGXT
SCHEMBL34413 0.66 IDO1 (0.67) CA1CA2APPIDO1AGXT
SCHEMBL21694512 0.66 CA1 (0.43) CA1CA2APPIDO1AGXT
SCHEMBL14240278 0.65 IDO1 (0.47) CA1CA2APPIDO1AGXT
SCHEMBL9155156 0.65 CA1 (0.55) CA1CA2APPIDO1AGXT

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-20250221996-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE, LTD. (KY) 2025-07-10 — — US disclosed
EP-4551574-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BeiGene, Ltd. (KY) 2025-05-14 — — EP disclosed
CN-119487028-A Heterocyclic compounds, compositions thereof and methods of treatment therewith 百济神州有限公司 2025-02-18 — — CN disclosed
WO-2024008179-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE, LTD. (KY) 2024-01-11 — — 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-20250221996-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH KRAS, NRAS, HRAS CA1 3471/4885CA2 3888/4885APP 2837/4885

“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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