SCHEMBL22245265

SCHEMBL22245265

COc1cc(-c2cc(=O)c3cccc(Cl)c3o2)cc(O[C@H]2C[C@@H](C(=O)OC)C2)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 2/20 0.51
▸ CYP1B1 Q16678 2/20 0.51
▸ CSNK2A2 P19784 7/20 0.46
▸ CSNK2B P67870 7/20 0.46
▸ CSNK2A1 P68400 7/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ PABPC1 P11940 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ PTGES O14684 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ TERT O14746 2/20 0.40
▸ LCK P06239 1/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ ABCC1 P33527 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ TUBB4A P04350 1/20 0.39
▸ TUBB P07437 1/20 0.39
▸ TUBA3C P0DPH7 1/20 0.39
▸ TUBA1B P68363 1/20 0.39

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
SCHEMBL22245255 1.00 CYP1A1 (0.51) CYP1A1CYP1B1CSNK2A2CSNK2BCSNK2A1
SCHEMBL22232972 1.00 CYP1A1 (0.51) CYP1A1CYP1B1CSNK2A2CSNK2BCSNK2A1
SCHEMBL22230855 0.92 CYP1A1 (0.52) CYP1A1CYP1B1CSNK2A2CSNK2BCSNK2A1
SCHEMBL22230858 0.92 CYP1A1 (0.52) CYP1A1CYP1B1CSNK2A2CSNK2BCSNK2A1
SCHEMBL22244891 0.90 ABCB1 (0.49) CYP1A1CYP1B1CSNK2A2CSNK2BCSNK2A1
SCHEMBL24605428 0.88 CYP1A1 (0.46) CYP1A1CYP1B1CSNK2A2CSNK2BCSNK2A1
SCHEMBL22245048 0.88 CYP1A1 (0.46) CYP1A1CYP1B1CSNK2A2CSNK2BCSNK2A1
SCHEMBL24605429 0.88 CYP1A1 (0.46) CYP1A1CYP1B1CSNK2A2CSNK2BCSNK2A1
SCHEMBL24605947 0.86 CSNK2A2 (0.44) CYP1A1CYP1B1CSNK2A2CSNK2BCSNK2A1
SCHEMBL22230959 0.86 HPGD (0.47) CYP1A1CYP1B1CSNK2A2CSNK2BCSNK2A1

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 2 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
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 CYP1A1 18/4885CYP1B1 9/4885CSNK2A2 1452/4885

“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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