SCHEMBL21801105

SCHEMBL21801105

COC(=O)C1CC(OCCOc2ccc(-c3oc4c(Cl)cc(F)cc4c(=O)c3O)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 2/20 0.41
▸ CSNK2B P67870 2/20 0.41
▸ CSNK2A1 P68400 2/20 0.41
▸ CSNK2A3 Q8NEV1 1/20 0.41
▸ CYP1A1 P04798 6/20 0.39
▸ CYP1A2 P05177 6/20 0.39
▸ CYP1B1 Q16678 6/20 0.39
▸ TP53 P04637 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ RXFP1 Q9HBX9 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ABCG2 Q9UNQ0 2/20 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
SCHEMBL21801097 0.91 MAOB (0.31) CSNK2A2CSNK2BCSNK2A1CSNK2A3CYP1A1
SCHEMBL21801218 0.91 CSNK2A2 (0.45) CSNK2A2CSNK2BCSNK2A1CSNK2A3CYP1A1
SCHEMBL21801137 0.88 CYP1A1 (0.33) CSNK2A2CSNK2BCSNK2A1CYP1A1CYP1A2
SCHEMBL30744079 0.88 CYP1A1 (0.33) CSNK2A2CSNK2BCSNK2A1CYP1A1CYP1A2
SCHEMBL21801144 0.88 CYP1A1 (0.33) CSNK2A2CSNK2BCSNK2A1CYP1A1CYP1A2
SCHEMBL21886767 0.86 CSNK2A2 (0.41) CSNK2A2CSNK2BCSNK2A1CSNK2A3CYP1A1
SCHEMBL21801126 0.85 MAOB (0.42) CSNK2A2CSNK2BCSNK2A1CYP1A1CYP1A2
SCHEMBL21801055 0.79 FFAR4 (0.36) CSNK2A2CSNK2BCSNK2A1CSNK2A3CYP1A1
SCHEMBL21801129 0.78 CSNK2A2 (0.41) CSNK2A2CSNK2BCSNK2A1CSNK2A3CYP1A1
SCHEMBL21801132 0.78 CSNK2A2 (0.41) CSNK2A2CSNK2BCSNK2A1CSNK2A3CYP1A1

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 CSNK2A2 3955/4885CSNK2B 3669/4885CSNK2A1 3802/4885
US-20220363657-A1 FLAVONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE PCNA, DNMT1, DNMT3B CSNK2A2 3955/4885CSNK2B 3669/4885CSNK2A1 3802/4885

“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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