SCHEMBL19642429

SCHEMBL19642429

COC(=O)C1CCN(c2ccc3c(=O)c4cccc(F)c4oc3c2)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.40
▸ MAOA P21397 2/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LOXL2 Q9Y4K0 1/20 0.38
▸ NOTUM Q6P988 5/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ TTR P02766 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL29547630 1.00 HSD11B1 (0.40) HSD11B1MAOAPDK2KDM4EALDH1A1
SCHEMBL29547997 0.90 TTR (0.49) MAOAKDM4EALDH1A1LOXL2NOTUM
SCHEMBL19642374 0.90 TTR (0.49) MAOAKDM4EALDH1A1LOXL2NOTUM
SCHEMBL19642420 0.89 MAOA (0.39) HSD11B1MAOAPDK2KDM4EALDH1A1
SCHEMBL29547638 0.89 MAOA (0.39) HSD11B1MAOAPDK2KDM4EALDH1A1
SCHEMBL29547545 0.88 NOTUM (0.50) NOTUMTTR
SCHEMBL19641810 0.88 NOTUM (0.50) NOTUMTTR
SCHEMBL19642415 0.84 MAOA (0.40) MAOAKDM4EALDH1A1NPC1RAB9A
SCHEMBL19642382 0.84 MAOA (0.40) MAOAKDM4EALDH1A1NPC1RAB9A
SCHEMBL29548205 0.84 MAOA (0.40) MAOAKDM4EALDH1A1NPC1RAB9A

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 8 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
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-10611748-B2 Xanthone derivatives for the treatment of hepatitis B virus disease HOFFMANN-LA ROCHE INC. (US) 2020-04-07 — — US 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
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
EP-3464278-A1 XANTHONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE H. Hoffnabb-La Roche Ag (CH) 2019-04-10 — — EP 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 (2 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-10611748-B2 Xanthone derivatives for the treatment of hepatitis B virus disease XDH, XPOT, HAVCR2 HSD11B1 156/4885MAOA 851/4885PDK2 910/4885
US-20190185444-A1 XANTHONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE XDH, HAVCR2, XPA HSD11B1 154/4885MAOA 821/4885PDK2 992/4885

“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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