SCHEMBL21801245

SCHEMBL21801245

COc1ccc(-c2cc(=O)c3cccc(Cl)c3o2)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 2/20 0.58
▸ ABCC1 P33527 2/20 0.58
▸ ABCG2 Q9UNQ0 2/20 0.58
▸ CYP1A1 P04798 5/20 0.56
▸ CYP1A2 P05177 5/20 0.56
▸ CYP1B1 Q16678 5/20 0.56
▸ CSNK2A2 P19784 5/20 0.56
▸ CSNK2B P67870 5/20 0.56
▸ CSNK2A1 P68400 5/20 0.56
▸ TERT O14746 5/20 0.55
▸ ALDH1A1 P00352 3/20 0.54
▸ CYP3A4 P08684 3/20 0.54
▸ MAPT P10636 3/20 0.54
▸ HPGD P15428 3/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ GLA P06280 1/20 0.54
▸ THRB P10828 1/20 0.54
▸ MAPK1 P28482 1/20 0.54

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
SCHEMBL30744133 1.00 ABCB1 (0.58) ABCB1ABCC1ABCG2CYP1A1CYP1A2
SCHEMBL22230879 0.89 TERT (0.69) ABCB1ABCC1ABCG2CYP1A1CYP1A2
SCHEMBL21801140 0.89 ABCC1 (0.57) ABCB1ABCC1ABCG2CYP1A1CYP1A2
SCHEMBL30744120 0.89 ABCC1 (0.57) ABCB1ABCC1ABCG2CYP1A1CYP1A2
SCHEMBL21886454 0.86 ABCB1 (0.47) ABCB1ABCC1ABCG2CYP1A1CYP1A2
SCHEMBL21801178 0.84 CYP1A1 (0.67) ABCB1ABCC1ABCG2CYP1A1CYP1A2
SCHEMBL22230875 0.83 CSNK2A2 (0.53) ABCB1ABCC1ABCG2CYP1A1CYP1A2
SCHEMBL21865746 0.83 CSNK2A2 (0.44) ABCB1ABCC1ABCG2CYP1A1CYP1A2
SCHEMBL21822869 0.80 MAPT (0.56) CYP1A1CYP1A2CYP1B1CSNK2A2CSNK2B
SCHEMBL22230886 0.80 CYP1A1 (0.58) CYP1A1CYP1A2CYP1B1CSNK2A2CSNK2B

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 ABCB1 33/4885ABCC1 1138/4885ABCG2 1632/4885
US-20220363657-A1 FLAVONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE PCNA, DNMT1, DNMT3B ABCB1 33/4885ABCC1 1138/4885ABCG2 1632/4885

“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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