SCHEMBL21801161

SCHEMBL21801161

COC(=O)C1CC(OCCOc2ccc(-c3cc(=O)c4cccc(Cl)c4o3)cc2C2CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.37
▸ CSNK2A2 P19784 3/20 0.36
▸ CSNK2B P67870 3/20 0.36
▸ CSNK2A1 P68400 3/20 0.36
▸ ABCB1 P08183 1/20 0.35
▸ ABCC1 P33527 1/20 0.35
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ CYP1A1 P04798 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP1B1 Q16678 1/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ PARP2 Q9UGN5 1/20 0.34
▸ TERT O14746 4/20 0.34

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
SCHEMBL21801184 0.91 SIGMAR1 (0.40) SIGMAR1CYP2D6
SCHEMBL21801182 0.91 SIGMAR1 (0.40) SIGMAR1CYP2D6
SCHEMBL22232647 0.90 ABCB1 (0.45) CSNK2A2CSNK2BCSNK2A1ABCB1ABCC1
SCHEMBL21865648 0.90 TERT (0.41) SIGMAR1CSNK2A2CSNK2BCSNK2A1ABCB1
SCHEMBL21801253 0.89 CSNK2A2 (0.37) SIGMAR1CSNK2A2CSNK2BCSNK2A1ABCB1
SCHEMBL21801223 0.87 CSNK2A2 (0.36) SIGMAR1CSNK2A2CSNK2BCSNK2A1ABCB1
SCHEMBL30744132 0.87 CSNK2A2 (0.36) SIGMAR1CSNK2A2CSNK2BCSNK2A1ABCB1
SCHEMBL24605428 0.84 CYP1A1 (0.46) CSNK2A2CSNK2BCSNK2A1CYP1A1CYP1A2
SCHEMBL22245048 0.84 CYP1A1 (0.46) CSNK2A2CSNK2BCSNK2A1CYP1A1CYP1A2
SCHEMBL24605429 0.84 CYP1A1 (0.46) CSNK2A2CSNK2BCSNK2A1CYP1A1CYP1A2

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 SIGMAR1 4179/4885CSNK2A2 3955/4885CSNK2B 3669/4885
US-20220363657-A1 FLAVONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE PCNA, DNMT1, DNMT3B SIGMAR1 4179/4885CSNK2A2 3955/4885CSNK2B 3669/4885

“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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