SCHEMBL19642261

SCHEMBL19642261

CC(C)(C)OC(=O)N1CCC2(CCN(c3ccc4c(=O)c5cccc(F)c5oc4c3)C2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.45
▸ PARP1 P09874 6/20 0.44
▸ TNKS O95271 3/20 0.44
▸ TNKS2 Q9H2K2 3/20 0.44
▸ SCD5 Q86SK9 1/20 0.42
▸ USP30 Q70CQ3 2/20 0.39
▸ HDAC2 Q92769 2/20 0.38
▸ CSF1R P07333 2/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KDR P35968 1/20 0.37
▸ GPR183 P32249 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ HIF1A Q16665 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HSD17B10 Q99714 2/20 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
SCHEMBL29547862 1.00 CYP11B2 (0.45) CYP11B2PARP1TNKSTNKS2SCD5
SCHEMBL29548330 0.96 PARP1 (0.43) CYP11B2PARP1TNKSTNKS2SCD5
SCHEMBL19642409 0.96 PARP1 (0.43) CYP11B2PARP1TNKSTNKS2SCD5
SCHEMBL21821241 0.87 CYP3A4 (0.42) SCD5CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL21821240 0.84 CYP3A4 (0.41) CYP3A4CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL19644239 0.83 PDK2 (0.45) USP30CSF1RCYP2C19KDRALDH1A1
SCHEMBL29547579 0.83 PDK2 (0.45) USP30CSF1RCYP2C19KDRALDH1A1
SCHEMBL29547484 0.79 USP2 (0.38) PARP1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL19642370 0.77 KHK (0.43) PARP1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL29547976 0.77 KHK (0.43) PARP1CYP3A4CYP1A2CYP2C9CYP2C19

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 9 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
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 CYP11B2 216/4885PARP1 2768/4885TNKS 3509/4885
US-20190185444-A1 XANTHONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE XDH, HAVCR2, XPA CYP11B2 260/4885PARP1 2379/4885TNKS 3519/4885

“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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