SCHEMBL21801196

SCHEMBL21801196

COC(=O)C1CCC(OCCO)C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.37
▸ CHRNA4 P43681 2/20 0.37
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ CHRNA7 P36544 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ TP53 P04637 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL3582915 0.89 GAA (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL23040879 0.87 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL21801171 0.87 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL19729124 0.85 TP53 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL21084340 0.78 CHRNB2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL6018982 0.78 GAA (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL6018988 0.78 GAA (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL21451205 0.77 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL28111322 0.77 GAA (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL4787505 0.77 SMN1; SMN2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12012390-B2 Flavone compounds for the treatment and prophylaxis of hepatitis B virus disease HOFFMANN-LA ROCHE INC. (US) 2024-06-18 — — US disclosed
CN-112601743-B Flavone compounds for the treatment and prevention of hepatitis b virus diseases 豪夫迈·罗氏有限公司 2023-12-19 — — CN disclosed
EP-3849966-B1 FLAVONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN LA ROCHE (CH) 2023-10-25 — — EP disclosed
EP-3849966-B1 FLAVONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN LA ROCHE (CH) 2023-10-25 — — EP disclosed
US-20220363657-A1 FLAVONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN-LA ROCHE INC. (US) 2022-11-17 — — US disclosed
EP-3849966-A1 FLAVONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. Hoffmann-La Roche AG (CH) 2021-07-21 — — EP disclosed
CN-112601743-A Flavone compounds for treating and preventing hepatitis B virus diseases 豪夫迈·罗氏有限公司 2021-04-02 — — CN disclosed
WO-2020052774-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-03-19 — — WO disclosed
WO-2020052774-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-03-19 — — WO disclosed
WO-2020053249-A1 FLAVONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-03-19 — — WO disclosed
WO-2020053249-A1 FLAVONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-03-19 — — 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 (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-12012390-B2 Flavone compounds for the treatment and prophylaxis of hepatitis B virus disease PCNA, DNMT1, DNMT3B CHRNB2 4868/4885CHRNA4 4806/4885CHRNB4 4850/4885
US-20220363657-A1 FLAVONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE PCNA, DNMT1, DNMT3B CHRNB2 4868/4885CHRNA4 4806/4885CHRNB4 4850/4885

“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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