SCHEMBL21801079

SCHEMBL21801079

O=C(O)c1cccc(OCCOc2ccc(-c3cc(=O)c4cccc(Cl)c4o3)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 4/20 0.53
ABCB1 P08183 1/20 0.48
PLA2G4B P0C869 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH2 P05091 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
NPC1 O15118 1/20 0.46
NR4A2 P43354 1/20 0.46
RAB9A P51151 1/20 0.46
BCHE P06276 1/20 0.44
CNR2 P34972 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
TTR P02766 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
SCHEMBL30744082 1.00 CYSLTR1 (0.53) CYSLTR1ABCB1PLA2G4BKMT2AALDH2
SCHEMBL21801075 0.90 CYSLTR1 (0.50) CYSLTR1PLA2G4BNPC1NR4A2RAB9A
SCHEMBL30744078 0.90 CYSLTR1 (0.50) CYSLTR1PLA2G4BNPC1NR4A2RAB9A
SCHEMBL21801227 0.89 TNKS (0.48) CYSLTR1ABCB1MAOBRAB9ABCHE
SCHEMBL21801153 0.85 ABCB1 (0.53) CYSLTR1ABCB1MAOBBCHECNR2
SCHEMBL21801152 0.84 ABCB1 (0.55) CYSLTR1ABCB1ALDH2MAOAMAOB
SCHEMBL21801308 0.84 ABCB1 (0.52) CYSLTR1ABCB1MAOBBCHECNR2
SCHEMBL21801150 0.84 ABCB1 (0.56) CYSLTR1ABCB1ALDH2MAOAMAOB
SCHEMBL21822702 0.82 KMT2A (0.42) CYSLTR1PLA2G4BKMT2ANPC1NR4A2
SCHEMBL21801054 0.82 ABCB1 (0.54) CYSLTR1ABCB1MAOBNPC1RAB9A

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 19 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
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 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
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 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
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 CYSLTR1 4861/4885ABCB1 33/4885PLA2G4B 4667/4885
US-20220363657-A1 FLAVONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE PCNA, DNMT1, DNMT3B CYSLTR1 4861/4885ABCB1 33/4885PLA2G4B 4667/4885

“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.