SCHEMBL22090604

SCHEMBL22090604

CCOC(=O)CNCCOc1cc(C(F)(F)F)ccc1-c1cc(=O)c2cccc(Cl)c2o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ LTA4H P09960 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MRGPRX4 Q96LA9 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ TNKS O95271 1/20 0.34
▸ CYP1A1 P04798 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.34
▸ PPARD Q03181 2/20 0.34
▸ NPC1 O15118 1/20 0.34

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
SCHEMBL22090532 0.90 PTGDR2 (0.38) HPGDMRGPRX4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL22090687 0.89 MRGPRX4 (0.39) HPGDMRGPRX4ALDH1A1SMN1; SMN2POLB
SCHEMBL22090486 0.88 PTGDR2 (0.38) HPGDMRGPRX4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL22090565 0.88 MRGPRX4 (0.38) HPGDMRGPRX4ALDH1A1SMN1; SMN2POLB
SCHEMBL30660007 0.88 MRGPRX4 (0.38) HPGDMRGPRX4ALDH1A1SMN1; SMN2POLB
SCHEMBL30659977 0.87 PPARD (0.38) HPGDMRGPRX4ALDH1A1POLBKDM4E
SCHEMBL22090490 0.87 PPARD (0.38) HPGDMRGPRX4ALDH1A1POLBKDM4E
SCHEMBL22090580 0.86 PTGDR2 (0.36) HPGDMRGPRX4ALDH1A1KDM4ECYP3A4
SCHEMBL25294269 0.86 ALDH1A1 (0.39) LTA4HHPGDMRGPRX4ALDH1A1SMN1; SMN2
SCHEMBL22090551 0.86 MRGPRX4 (0.40) HPGDMRGPRX4ALDH1A1POLBKDM4E

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
CN-113286792-B N-chromen-4-one containing derivatives for the treatment and prevention of hepatitis b virus infection 豪夫迈·罗氏有限公司 2023-12-05 — — CN disclosed
EP-3894402-B1 N-CONTAINING CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2023-07-05 — — EP disclosed
US-20220169639-A1 N-CONTAINING CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2022-06-02 — — US disclosed
US-20220169639-A1 N-CONTAINING CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2022-06-02 — — US disclosed
EP-3894402-A1 N-CONTAINING CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2021-10-20 — — EP disclosed
CN-113286792-A N-containing chromen-4-one derivatives for the treatment and prevention of hepatitis B virus infection 豪夫迈·罗氏有限公司 2021-08-20 — — CN disclosed
WO-2020120528-A1 N-CONTAINING CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2020-06-18 — — 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-20220169639-A1 N-CONTAINING CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, NR0B1, CYP7A1 L3MBTL1 1303/4885LTA4H 2872/4885HPGD 1751/4885

“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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