SCHEMBL22245085

SCHEMBL22245085

COC(=O)C1CC(Oc2cc(-c3cc(=O)c4cccc(Cl)c4o3)c(Br)cc2OC)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ HPGD P15428 4/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CYP1A1 P04798 6/20 0.40
▸ CYP1B1 Q16678 6/20 0.40
▸ CYP1A2 P05177 6/20 0.40
▸ CSNK2A2 P19784 4/20 0.37
▸ CSNK2B P67870 4/20 0.37
▸ CSNK2A1 P68400 4/20 0.37
▸ ABCB1 P08183 1/20 0.35
▸ ABCC1 P33527 1/20 0.35
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ CYP2C9 P11712 2/20 0.34

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
SCHEMBL22231535 0.92 ALDH1A1 (0.43) ALDH1A1HPGDCYP3A4MAPTKDM4E
SCHEMBL22231534 0.92 ALDH1A1 (0.43) ALDH1A1HPGDCYP3A4MAPTKDM4E
SCHEMBL22245040 0.92 ALDH1A1 (0.44) ALDH1A1HPGDCYP3A4MAPTKDM4E
SCHEMBL22244939 0.88 HPGD (0.39) ALDH1A1HPGDCYP3A4MAPTKDM4E
SCHEMBL28610302 0.88 HPGD (0.39) ALDH1A1HPGDCYP3A4MAPTKDM4E
SCHEMBL22231241 0.88 ALDH1A1 (0.44) ALDH1A1HPGDCYP3A4MAPTKDM4E
SCHEMBL21822978 0.86 HPGD (0.41) ALDH1A1HPGDCYP3A4MAPTKDM4E
SCHEMBL21822521 0.86 ALDH1A1 (0.43) ALDH1A1HPGDCYP3A4MAPTKDM4E
SCHEMBL30169704 0.86 ALDH1A1 (0.43) ALDH1A1HPGDCYP3A4MAPTKDM4E
SCHEMBL21822666 0.85 HPGD (0.52) ALDH1A1HPGDCYP3A4MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213049-A1 SUBSTITUTED CHROMEN-4-ONE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2022-07-07 — — US disclosed
CN-113301959-A Substituted chromen-4-ones for the treatment and prevention of hepatitis B virus infection 豪夫迈·罗氏有限公司 2021-08-24 — — CN disclosed
WO-2020148354-A1 SUBSTITUTED CHROMEN-4-ONE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2020-07-23 — — 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 (1 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-20220213049-A1 SUBSTITUTED CHROMEN-4-ONE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP26B1, CYP7A1 ALDH1A1 420/4885HPGD 1900/4885CYP3A4 27/4885

“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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