SCHEMBL21801130

SCHEMBL21801130

COC(=O)C1CCC(OCCOc2ccc(-c3cc(=O)c4cccc(Cl)c4o3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.45
▸ SIGMAR1 Q99720 2/20 0.44
▸ ABCB1 P08183 3/20 0.42
▸ CYSLTR1 Q9Y271 4/20 0.41
▸ BCHE P06276 2/20 0.41
▸ CNR2 P34972 2/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ PARP2 Q9UGN5 1/20 0.41
▸ ABCC1 P33527 2/20 0.40
▸ ABCG2 Q9UNQ0 2/20 0.40
▸ MAOA P21397 1/20 0.40
▸ CYP1A1 P04798 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP1B1 Q16678 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ CYSLTR2 Q9NS75 1/20 0.39

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
SCHEMBL21801232 0.95 MAOB (0.44) MAOBSIGMAR1ABCB1CYSLTR1BCHE
SCHEMBL21886504 0.91 ABCB1 (0.44) MAOBSIGMAR1ABCB1CYSLTR1BCHE
SCHEMBL21801062 0.90 CYSLTR1 (0.45) MAOBSIGMAR1ABCB1CYSLTR1BCHE
SCHEMBL21801118 0.90 CYSLTR1 (0.45) MAOBSIGMAR1ABCB1CYSLTR1BCHE
SCHEMBL21801063 0.90 CYSLTR1 (0.45) MAOBSIGMAR1ABCB1CYSLTR1BCHE
SCHEMBL21801131 0.87 CYSLTR1 (0.43) MAOBSIGMAR1ABCB1CYSLTR1BCHE
SCHEMBL21801221 0.86 SIGMAR1 (0.47) MAOBSIGMAR1ABCB1CYSLTR1BCHE
SCHEMBL30744108 0.86 SIGMAR1 (0.47) MAOBSIGMAR1ABCB1CYSLTR1BCHE
SCHEMBL21865717 0.85 ABCB1 (0.44) MAOBSIGMAR1ABCB1CYSLTR1BCHE
SCHEMBL21801191 0.84 CYSLTR1 (0.45) MAOBSIGMAR1ABCB1CYSLTR1BCHE

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 MAOB 431/4885SIGMAR1 4179/4885ABCB1 33/4885
US-20220363657-A1 FLAVONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE PCNA, DNMT1, DNMT3B MAOB 431/4885SIGMAR1 4179/4885ABCB1 33/4885

“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.

Send feedback