SCHEMBL22231939

SCHEMBL22231939

COC(=O)C1CC(Oc2cc(-c3cc(=O)c4cccc(Cl)c4o3)ccc2C(F)(F)F)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 9/20 0.41
▸ CSNK2B P67870 9/20 0.41
▸ CSNK2A1 P68400 9/20 0.41
▸ ABCC1 P33527 2/20 0.38
▸ ABCG2 Q9UNQ0 2/20 0.38
▸ ABCB1 P08183 2/20 0.38
▸ TERT O14746 4/20 0.37
▸ CYP1A1 P04798 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP1B1 Q16678 2/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35

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
SCHEMBL22231472 0.90 CSNK2A2 (0.39) CSNK2A2CSNK2BCSNK2A1ABCC1ABCG2
SCHEMBL22231445 0.90 CSNK2A2 (0.39) CSNK2A2CSNK2BCSNK2A1ABCC1ABCG2
SCHEMBL22231443 0.90 CSNK2A2 (0.39) CSNK2A2CSNK2BCSNK2A1ABCC1ABCG2
SCHEMBL24605947 0.88 CSNK2A2 (0.44) CSNK2A2CSNK2BCSNK2A1ABCC1ABCG2
SCHEMBL22244891 0.88 ABCB1 (0.49) CSNK2A2CSNK2BCSNK2A1ABCC1ABCG2
SCHEMBL28607294 0.87 CSNK2A2 (0.39) CSNK2A2CSNK2BCSNK2A1ABCC1ABCG2
SCHEMBL22231935 0.84 CSNK2A2 (0.38) CSNK2A2CSNK2BCSNK2A1ABCC1ABCG2
SCHEMBL22232972 0.83 CYP1A1 (0.51) CSNK2A2CSNK2BCSNK2A1ABCC1ABCG2
SCHEMBL22245255 0.83 CYP1A1 (0.51) CSNK2A2CSNK2BCSNK2A1ABCC1ABCG2
SCHEMBL22245265 0.83 CYP1A1 (0.51) CSNK2A2CSNK2BCSNK2A1ABCC1ABCG2

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 5 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
EP-3911413-A1 SUBSTITUTED CHROMEN-4-ONE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2021-11-24 — — EP 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
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 CSNK2A2 1452/4885CSNK2B 1017/4885CSNK2A1 1120/4885

“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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