SCHEMBL21822802

SCHEMBL21822802

COC(=O)C1CC(OCCCOS(=O)(=O)c2ccc(C)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSMD10 O75832 1/20 0.42
STAT3 P40763 1/20 0.39
MMP2 P08253 1/20 0.39
ANPEP P15144 1/20 0.39
ALDH1A1 P00352 7/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ENPP3 O14638 2/20 0.37
ENPP1 P22413 2/20 0.37
ENPP2 Q13822 2/20 0.37
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 2/20 0.36
CYP3A4 P08684 2/20 0.36

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
SCHEMBL21801133 0.93 STAT3 (0.41) PSMD10STAT3MMP2ANPEPALDH1A1
SCHEMBL21822994 0.92 PSMD10 (0.40) PSMD10STAT3MMP2ANPEPALDH1A1
SCHEMBL21801259 0.84 ALDH1A1 (0.41) STAT3MMP2ANPEPALDH1A1KMT2A
SCHEMBL21822928 0.82 STAT3 (0.41) STAT3MMP2ANPEPALDH1A1KMT2A
SCHEMBL21801312 0.81 ALDH1A1 (0.45) STAT3MMP2ANPEPALDH1A1KMT2A
SCHEMBL21801310 0.81 ENPP1 (0.48) ALDH1A1KMT2AENPP3ENPP1ENPP2
SCHEMBL401343 0.80 CYP2D6 (0.50) MMP2ANPEPALDH1A1KMT2AENPP3
SCHEMBL25544479 0.80 CYP2D6 (0.50) MMP2ANPEPALDH1A1KMT2AENPP3
SCHEMBL401342 0.80 CYP2D6 (0.50) MMP2ANPEPALDH1A1KMT2AENPP3
SCHEMBL15103285 0.80 CYP2D6 (0.43) PSMD10STAT3ALDH1A1GAACYP3A4

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 PSMD10 3253/4885STAT3 3645/4885MMP2 558/4885
US-20230074887-A1 FLAVONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE CCNE2, CCNE1, CCNT1 PSMD10 3253/4885STAT3 3645/4885MMP2 558/4885

“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.