SCHEMBL22230877

SCHEMBL22230877

COc1cc(OC)c(-c2cc(=O)c3cccc(Cl)c3o2)cc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.55
▸ KDM4E B2RXH2 4/20 0.55
▸ MAPT P10636 4/20 0.55
▸ HPGD P15428 4/20 0.55
▸ CYP3A4 P08684 3/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ CSNK2A2 P19784 8/20 0.53
▸ CSNK2B P67870 8/20 0.53
▸ CSNK2A1 P68400 8/20 0.53
▸ CYP1A1 P04798 3/20 0.51
▸ CYP1A2 P05177 3/20 0.51
▸ CYP1B1 Q16678 3/20 0.51
▸ TERT O14746 3/20 0.47
▸ CYP2C19 P33261 3/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ MAPK1 P28482 2/20 0.46

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
SCHEMBL22230854 0.93 CYP3A4 (0.55) ALDH1A1KDM4EMAPTHPGDCYP3A4
SCHEMBL22230869 0.90 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTHPGDCYP3A4
SCHEMBL22230867 0.90 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTHPGDCYP3A4
SCHEMBL30660113 0.88 MAPT (0.57) ALDH1A1KDM4EMAPTHPGDCYP3A4
SCHEMBL21823009 0.88 MAPT (0.57) ALDH1A1KDM4EMAPTHPGDCYP3A4
SCHEMBL21822869 0.87 MAPT (0.56) ALDH1A1KDM4EMAPTHPGDCYP3A4
SCHEMBL22230860 0.86 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTHPGDCYP3A4
SCHEMBL21822918 0.85 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTHPGDCYP3A4
SCHEMBL21822985 0.85 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTHPGDCYP3A4
SCHEMBL21822990 0.85 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTHPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3911413-B1 SUBSTITUTED CHROMEN-4-ONE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2023-12-06 — — EP disclosed
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
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 ALDH1A1 420/4885KDM4E 2315/4885MAPT 4532/4885

“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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