SCHEMBL21822953

SCHEMBL21822953

COC(=O)C1CC(Oc2cc(C3CC3)ccc2-c2cc(=O)c3cccc(Cl)c3o2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CYP1A1 P04798 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP1B1 Q16678 2/20 0.36
▸ CSNK2A2 P19784 3/20 0.35
▸ CSNK2B P67870 3/20 0.35
▸ CSNK2A1 P68400 3/20 0.35
▸ PDE4A P27815 2/20 0.35
▸ PDE4B Q07343 2/20 0.35
▸ PDE4C Q08493 2/20 0.35
▸ PDE4D Q08499 2/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32

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
SCHEMBL25861638 0.91 MAPT (0.39) ALDH1A1CYP3A4MAPTHPGDKDM4E
SCHEMBL21822584 0.90 PDE4A (0.39) ALDH1A1CYP3A4MAPTHPGDKDM4E
SCHEMBL21822655 0.90 PDE4A (0.39) ALDH1A1CYP3A4MAPTHPGDKDM4E
SCHEMBL25097736 0.90 PDE4A (0.39) ALDH1A1CYP3A4MAPTHPGDKDM4E
SCHEMBL28572740 0.90 PDE4A (0.39) ALDH1A1CYP3A4MAPTHPGDKDM4E
SCHEMBL21822978 0.88 HPGD (0.41) ALDH1A1CYP3A4MAPTHPGDKDM4E
SCHEMBL21822666 0.87 HPGD (0.52) ALDH1A1CYP3A4MAPTHPGDKDM4E
SCHEMBL21822906 0.85 KDM4E (0.39) ALDH1A1CYP3A4MAPTHPGDKDM4E
SCHEMBL22231241 0.83 ALDH1A1 (0.44) ALDH1A1CYP3A4MAPTHPGDKDM4E
SCHEMBL22230959 0.83 HPGD (0.47) ALDH1A1CYP3A4MAPTHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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-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 (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-11708344-B2 Flavone derivatives for the treatment and prophylaxis of hepatitis B virus disease CCNE2, CCNE1, CCNT1 ALDH1A1 455/4885CYP3A4 32/4885MAPT 3335/4885
US-20230074887-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE CCNE2, CCNE1, CCNT1 ALDH1A1 455/4885CYP3A4 32/4885MAPT 3335/4885

“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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