SCHEMBL19661827

SCHEMBL19661827

O=c1c2ccc(Br)cc2oc2c(Cl)cc(Cl)cc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 5/20 0.50
▸ TTR P02766 5/20 0.45
▸ CSNK2A2 P19784 2/20 0.41
▸ CSNK2B P67870 2/20 0.41
▸ CSNK2A1 P68400 1/20 0.41
▸ CSNK2A3 Q8NEV1 1/20 0.41
▸ PTPN1 P18031 1/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ PIM1 P11309 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ TBK1 Q9UHD2 1/20 0.38
▸ MAOA P21397 1/20 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
SCHEMBL30930040 0.87 AHR (0.61) AHRCSNK2A2CSNK2BPIM1PIM3
SCHEMBL23299479 0.87 AHR (0.61) AHRCSNK2A2CSNK2BPIM1PIM3
SCHEMBL19642290 0.85 NMUR2 (0.41) TTRCSNK2A2CSNK2BCYP11B1CYP11B2
SCHEMBL19642257 0.82 TTR (0.64) AHRTTRCSNK2A2CSNK2BPIM1
SCHEMBL31174010 0.80 TTR (0.67) AHRTTRCA1CA2MAOA
SCHEMBL5346099 0.80 TTR (0.67) AHRTTRCA1CA2MAOA
SCHEMBL8815638 0.78 AHR (0.57) AHRTTRCSNK2A2CSNK2BCSNK2A1
SCHEMBL17752292 0.78 CYP11B1 (0.54) TTRPTPN1CYP11B1CYP11B2PIM1
SCHEMBL30923496 0.78 CYP11B1 (0.54) TTRPTPN1CYP11B1CYP11B2PIM1
SCHEMBL23299464 0.78 AHR (0.61) AHRCSNK2A2CSNK2BCSNK2A1CSNK2A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311860-B Xanthone derivatives for the treatment or prevention of hepatitis B virus diseases 豪夫迈·罗氏有限公司 2022-04-08 — — CN disclosed
EP-3464278-B1 XANTHONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN LA ROCHE (CH) 2021-06-16 — — EP disclosed
US-20190185444-A1 XANTHONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN-LA ROCHE INC. (US) 2019-06-20 — — US disclosed
WO-2017202798-A1 XANTHONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2017-11-30 — — 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-20190185444-A1 XANTHONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE XDH, HAVCR2, XPA AHR 490/4885TTR 1316/4885CSNK2A2 1735/4885

“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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