SCHEMBL21801271

SCHEMBL21801271

O=c1cc(-c2ccc(OCCBr)cc2)oc2c(Cl)cccc12

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.52
MAOB P27338 1/20 0.49
BCHE P06276 1/20 0.47
CNR2 P34972 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.46
ABCG2 Q9UNQ0 5/20 0.46
CYP1A1 P04798 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP1B1 Q16678 2/20 0.46
ABCC1 P33527 2/20 0.46
CYP2D6 P10635 1/20 0.44

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
SCHEMBL30744107 1.00 ABCB1 (0.52) ABCB1MAOBBCHECNR2CYSLTR1
SCHEMBL30744109 0.92 ABCB1 (0.45) ABCB1MAOBBCHECNR2CYSLTR1
SCHEMBL21801153 0.89 ABCB1 (0.53) ABCB1MAOBBCHECNR2CYSLTR1
SCHEMBL21801308 0.88 ABCB1 (0.52) ABCB1MAOBBCHECNR2CYSLTR1
SCHEMBL21865610 0.86 CYSLTR1 (0.53) ABCB1MAOBCYSLTR1ABCG2CYP1A1
SCHEMBL21801152 0.82 ABCB1 (0.55) ABCB1MAOBBCHECNR2CYSLTR1
SCHEMBL21886452 0.82 ABCB1 (0.57) ABCB1MAOBBCHECNR2CYSLTR1
SCHEMBL21801150 0.82 ABCB1 (0.56) ABCB1MAOBBCHECNR2CYSLTR1
SCHEMBL21801079 0.82 CYSLTR1 (0.53) ABCB1MAOBBCHECNR2CYSLTR1
SCHEMBL21801054 0.82 ABCB1 (0.54) ABCB1MAOBBCHECNR2CYSLTR1

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 33/4885MAOB 431/4885BCHE 807/4885
US-20220363657-A1 FLAVONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE PCNA, DNMT1, DNMT3B ABCB1 33/4885MAOB 431/4885BCHE 807/4885

“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.