SCHEMBL21130060

SCHEMBL21130060

Cc1cc2c(=O)c3cccc(Cl)c3oc2cc1Br

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 5/20 0.53
▸ AHR P35869 3/20 0.43
▸ MAOA P21397 5/20 0.40
▸ NPC1 O15118 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HTR1A P08908 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ACE P12821 1/20 0.35

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
SCHEMBL19641739 0.87 TTR (0.57) TTRAHRMAOANPC1KDM4E
SCHEMBL29548235 0.87 TTR (0.57) TTRAHRMAOANPC1KDM4E
SCHEMBL19642367 0.83 TTR (0.53) TTRAHRMAOANPC1KDM4E
SCHEMBL19642648 0.83 MAOA (0.40) TTRMAOANPC1KDM4EALDH1A1
SCHEMBL19642257 0.78 TTR (0.64) TTRAHRMAOANPC1KDM4E
SCHEMBL24410070 0.77 TTR (0.62) TTRAHRMAOANPC1KDM4E
SCHEMBL20317229 0.77 TTR (0.58) TTRAHRMAOANPC1KDM4E
SCHEMBL28275131 0.76 TTR (0.48) TTRAHRMAOA
SCHEMBL19642446 0.75 TTR (0.44) TTRAHRMAOANPC1KDM4E
SCHEMBL21129776 0.75 TTR (0.53) TTRAHRMAOANPC1KDM4E

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
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

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 TTR 1316/4885AHR 490/4885MAOA 821/4885

“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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