SCHEMBL21801117

SCHEMBL21801117

Cc1cccc2c(=O)cc(-c3ccc(OCCO[C@H]4C[C@@H](C(=O)O)C4)cc3)oc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 3/20 0.45
▸ ABCB1 P08183 5/20 0.44
▸ ABCC1 P33527 2/20 0.42
▸ ABCG2 Q9UNQ0 2/20 0.42
▸ BCHE P06276 2/20 0.41
▸ CNR2 P34972 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ SIGMAR1 Q99720 2/20 0.40
▸ ALDH2 P05091 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ CYP1A1 P04798 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP1B1 Q16678 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC6 Q9UBN7 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
SCHEMBL21801119 1.00 CYSLTR1 (0.45) CYSLTR1ABCB1ABCC1ABCG2BCHE
SCHEMBL21801081 0.90 CYSLTR1 (0.45) CYSLTR1ABCB1BCHECNR2CYP2D6
SCHEMBL21801191 0.90 CYSLTR1 (0.45) CYSLTR1ABCB1BCHECNR2CYP2D6
SCHEMBL21801083 0.90 CYSLTR1 (0.45) CYSLTR1ABCB1BCHECNR2CYP2D6
SCHEMBL21801053 0.89 CYSLTR1 (0.45) CYSLTR1ABCB1ABCC1ABCG2BCHE
SCHEMBL21801052 0.89 CYSLTR1 (0.45) CYSLTR1ABCB1ABCC1ABCG2BCHE
SCHEMBL26676787 0.88 ABCB1 (0.45) CYSLTR1ABCB1ABCC1ABCG2BCHE
SCHEMBL21801088 0.87 CYSLTR1 (0.43) CYSLTR1ABCB1BCHECNR2CYP2D6
SCHEMBL21801087 0.87 CYSLTR1 (0.43) CYSLTR1ABCB1BCHECNR2CYP2D6
SCHEMBL21801138 0.86 CYSLTR1 (0.45) CYSLTR1ABCB1BCHECNR2CYP2D6

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 CYSLTR1 4861/4885ABCB1 33/4885ABCC1 1138/4885
US-20220363657-A1 FLAVONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE PCNA, DNMT1, DNMT3B CYSLTR1 4861/4885ABCB1 33/4885ABCC1 1138/4885

“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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