SCHEMBL22244891

SCHEMBL22244891

COC(=O)C1CC(Oc2cc(-c3cc(=O)c4cccc(Cl)c4o3)ccc2OC)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 2/20 0.49
▸ ABCC1 P33527 2/20 0.49
▸ ABCG2 Q9UNQ0 2/20 0.49
▸ CSNK2A2 P19784 6/20 0.48
▸ CSNK2B P67870 6/20 0.48
▸ CSNK2A1 P68400 6/20 0.48
▸ TERT O14746 5/20 0.48
▸ ALDH1A1 P00352 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CYP1A1 P04798 2/20 0.44

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
SCHEMBL22230865 0.92 ABCB1 (0.50) ABCB1ABCC1ABCG2CSNK2A2CSNK2B
SCHEMBL24605947 0.91 CSNK2A2 (0.44) ABCB1ABCC1ABCG2CSNK2A2CSNK2B
SCHEMBL22232972 0.90 CYP1A1 (0.51) ABCB1ABCC1ABCG2CSNK2A2CSNK2B
SCHEMBL22245255 0.90 CYP1A1 (0.51) ABCB1ABCC1ABCG2CSNK2A2CSNK2B
SCHEMBL22245265 0.90 CYP1A1 (0.51) ABCB1ABCC1ABCG2CSNK2A2CSNK2B
SCHEMBL22232647 0.88 ABCB1 (0.45) ABCB1ABCC1ABCG2CSNK2A2CSNK2B
SCHEMBL22231939 0.88 CSNK2A2 (0.41) ABCB1ABCC1ABCG2CSNK2A2CSNK2B
SCHEMBL22245040 0.87 ALDH1A1 (0.44) ABCB1ABCC1ABCG2CSNK2A2CSNK2B
SCHEMBL22231241 0.85 ALDH1A1 (0.44) CSNK2A2CSNK2BCSNK2A1TERTALDH1A1
SCHEMBL22230923 0.84 ALDH1A1 (0.46) CSNK2A2CSNK2BCSNK2A1TERTALDH1A1

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
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
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 ABCB1 232/4885ABCC1 772/4885ABCG2 507/4885

“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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