SCHEMBL21822693

SCHEMBL21822693

O=c1cc(-c2ccc(Br)cc2OCCBr)oc2c(Cl)cccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP1A1 P04798 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP1B1 Q16678 2/20 0.42
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
GABRP O00591 4/20 0.37
GABRD O14764 4/20 0.37
GABRA1 P14867 4/20 0.37
GABRB1 P18505 4/20 0.37
GABRG2 P18507 4/20 0.37
GABRB3 P28472 4/20 0.37
GABRA5 P31644 4/20 0.37
GABRA3 P34903 4/20 0.37
GABRA2 P47869 4/20 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
SCHEMBL30466734 1.00 HPGD (0.43) HPGDALDH1A1KDM4ECYP3A4MAPT
SCHEMBL30660074 0.96 HPGD (0.43) HPGDALDH1A1KDM4ECYP3A4MAPT
SCHEMBL22090566 0.96 HPGD (0.43) HPGDALDH1A1KDM4ECYP3A4MAPT
SCHEMBL22090784 0.90 HPGD (0.42) HPGDALDH1A1KDM4ECYP3A4MAPT
SCHEMBL28616586 0.90 HPGD (0.42) HPGDALDH1A1KDM4ECYP3A4MAPT
SCHEMBL28582249 0.89 HPGD (0.41) HPGDALDH1A1KDM4ECYP3A4MAPT
SCHEMBL22090689 0.88 HPGD (0.45) HPGDALDH1A1KDM4ECYP3A4MAPT
SCHEMBL30660105 0.88 HPGD (0.45) HPGDALDH1A1KDM4ECYP3A4MAPT
SCHEMBL21822842 0.88 FFAR4 (0.40) HPGDALDH1A1KDM4ECYP3A4MAPT
SCHEMBL21822605 0.88 HPGD (0.40) HPGDALDH1A1KDM4ECYP3A4MAPT

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113286792-B N-chromen-4-one containing derivatives for the treatment and prevention of hepatitis b virus infection 豪夫迈·罗氏有限公司 2023-12-05 CN disclosed
US-11708344-B2 Flavone derivatives for the treatment and prophylaxis of hepatitis B virus disease HOFFMANN-LA ROCHE INC. (US) 2023-07-25 US disclosed
US-11708344-B2 Flavone derivatives for the treatment and prophylaxis of hepatitis B virus disease HOFFMANN-LA ROCHE INC. (US) 2023-07-25 US disclosed
US-11708344-B2 Flavone derivatives for the treatment and prophylaxis of hepatitis B virus disease HOFFMANN-LA ROCHE INC. (US) 2023-07-25 US disclosed
EP-3894402-B1 N-CONTAINING CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2023-07-05 EP disclosed
EP-3894402-B1 N-CONTAINING CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2023-07-05 EP disclosed
US-20230074887-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-03-09 US disclosed
US-20230074887-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-03-09 US disclosed
US-20220169639-A1 N-CONTAINING CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2022-06-02 US disclosed
US-20220169639-A1 N-CONTAINING CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2022-06-02 US disclosed
EP-3894402-A1 N-CONTAINING CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2021-10-20 EP disclosed
CN-113286792-A N-containing chromen-4-one derivatives for the treatment and prevention of hepatitis B virus infection 豪夫迈·罗氏有限公司 2021-08-20 CN disclosed
EP-3860984-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. Hoffmann-La Roche AG (CH) 2021-08-11 EP disclosed
CN-112912371-A Flavone derivatives for treating and preventing hepatitis B virus diseases 豪夫迈·罗氏有限公司 2021-06-04 CN disclosed
WO-2020120528-A1 N-CONTAINING CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2020-06-18 WO disclosed
WO-2020120528-A1 N-CONTAINING CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2020-06-18 WO disclosed
WO-2020070088-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-04-09 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 (3 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-20220169639-A1 N-CONTAINING CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, NR0B1, CYP7A1 HPGD 1751/4885ALDH1A1 889/4885KDM4E 1823/4885
US-11708344-B2 Flavone derivatives for the treatment and prophylaxis of hepatitis B virus disease CCNE2, CCNE1, CCNT1 HPGD 1409/4885ALDH1A1 455/4885KDM4E 1119/4885
US-20230074887-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE CCNE2, CCNE1, CCNT1 HPGD 1409/4885ALDH1A1 455/4885KDM4E 1119/4885

“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.