SCHEMBL21801307

SCHEMBL21801307

COc1ccc(-c2cc(=O)c3ccc(Br)c(Cl)c3o2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 3/20 0.60
▸ CYP1B1 Q16678 3/20 0.60
▸ CYP1A2 P05177 2/20 0.60
▸ ABCB1 P08183 2/20 0.60
▸ ABCG2 Q9UNQ0 2/20 0.60
▸ ABCC1 P33527 1/20 0.60
▸ MAOB P27338 5/20 0.59
▸ KCNA5 P22460 3/20 0.56
▸ KCNH2 Q12809 3/20 0.56
▸ GABRP O00591 2/20 0.56
▸ GABRD O14764 2/20 0.56
▸ GABRA1 P14867 2/20 0.56
▸ GABRB1 P18505 2/20 0.56
▸ GABRG2 P18507 2/20 0.56
▸ GABRB3 P28472 2/20 0.56
▸ GABRA5 P31644 2/20 0.56
▸ GABRA3 P34903 2/20 0.56
▸ GABRA2 P47869 2/20 0.56
▸ GABRB2 P47870 2/20 0.56
▸ GABRA4 P48169 2/20 0.56

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
SCHEMBL30744123 1.00 CYP1A1 (0.60) CYP1A1CYP1B1CYP1A2ABCB1ABCG2
SCHEMBL21801086 0.85 CYP1A1 (0.60) CYP1A1CYP1B1CYP1A2ABCB1ABCG2
SCHEMBL21801175 0.83 TERT (0.62) CYP1A1CYP1B1CYP1A2MAOBCYP3A4
SCHEMBL30744111 0.83 TERT (0.62) CYP1A1CYP1B1CYP1A2MAOBCYP3A4
SCHEMBL21801176 0.81 CYP1A1 (0.57) CYP1A1CYP1B1CYP1A2ABCB1ABCG2
SCHEMBL21801147 0.80 GABRP (0.63) CYP1A1CYP1B1CYP1A2ABCB1ABCG2
SCHEMBL21801178 0.79 CYP1A1 (0.67) CYP1A1CYP1B1CYP1A2ABCB1ABCG2
SCHEMBL29180229 0.78 ABCG2 (0.48) ABCB1ABCG2ABCC1MAOB
SCHEMBL21801108 0.78 CSNK2A2 (0.57) MAOBCYP3A4TP53ALDH1A1MAPT
SCHEMBL30744110 0.78 CSNK2A2 (0.57) MAOBCYP3A4TP53ALDH1A1MAPT

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 CYP1A1 150/4885CYP1B1 322/4885CYP1A2 164/4885
US-20220363657-A1 FLAVONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE PCNA, DNMT1, DNMT3B CYP1A1 150/4885CYP1B1 322/4885CYP1A2 164/4885

“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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