SCHEMBL21801199

SCHEMBL21801199

COc1c(-c2ccc(OCCOC3CC(C(=O)O)C3)cc2)oc2c(Cl)cccc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 7/20 0.43
▸ ABCC1 P33527 2/20 0.43
▸ ALDH1A1 P00352 7/20 0.41
▸ KDM4E B2RXH2 6/20 0.41
▸ MAPT P10636 5/20 0.39
▸ HPGD P15428 4/20 0.39
▸ GAA P10253 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ CYSLTR1 Q9Y271 1/20 0.38
▸ CYP1A1 P04798 2/20 0.38
▸ CYP1B1 Q16678 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37

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
SCHEMBL21801198 1.00 ABCG2 (0.43) ABCG2ABCC1ALDH1A1KDM4EMAPT
SCHEMBL21801074 0.89 TDP1 (0.38) ALDH1A1KDM4EMAPTHPGDCYSLTR1
SCHEMBL30629637 0.89 TDP1 (0.38) ALDH1A1KDM4EMAPTHPGDCYSLTR1
SCHEMBL30744084 0.89 ABCG2 (0.47) ABCG2ABCC1ALDH1A1CYSLTR1ABCB1
SCHEMBL21801156 0.89 ABCG2 (0.47) ABCG2ABCC1ALDH1A1CYSLTR1ABCB1
SCHEMBL21801129 0.88 CSNK2A2 (0.41) ABCG2ALDH1A1KDM4EMAPTHPGD
SCHEMBL21801132 0.88 CSNK2A2 (0.41) ABCG2ALDH1A1KDM4EMAPTHPGD
SCHEMBL21801082 0.88 TDP1 (0.36) ALDH1A1KDM4EHPGDCYSLTR1TDP1
SCHEMBL30629627 0.88 TDP1 (0.36) ALDH1A1KDM4EHPGDCYSLTR1TDP1
SCHEMBL21865647 0.83 ABCG2 (0.53) ABCG2ABCC1ALDH1A1KDM4EMAPT

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 12 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 claimed
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 claimed
EP-3849966-B1 FLAVONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN LA ROCHE (CH) 2023-10-25 — — EP claimed
US-20220363657-A1 FLAVONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN-LA ROCHE INC. (US) 2022-11-17 — — US claimed
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 claimed
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 claimed
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
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
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

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 ABCG2 1632/4885ABCC1 1138/4885ALDH1A1 1894/4885
US-20220363657-A1 FLAVONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE PCNA, DNMT1, DNMT3B ABCG2 1632/4885ABCC1 1138/4885ALDH1A1 1894/4885

“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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