SCHEMBL17709308

SCHEMBL17709308

COCCCOc1cc(CC(=O)C(C)(C)COCc2ccccc2)ccc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMPD1 P17405 2/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ KMT2A Q03164 1/20 0.45
▸ REN P00797 6/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ LTB4R Q15722 1/20 0.43
▸ LTB4R2 Q9NPC1 1/20 0.43
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ CTSD P07339 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 1/20 0.42

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
SCHEMBL19087119 0.89 ALDH1A1 (0.42) KMT2AALDH1A1
SCHEMBL17709407 0.87 REN (0.46) SMPD1KMT2ARENMTNR1AMTNR1B
SCHEMBL17709303 0.86 SMPD1 (0.52) SMPD1HDAC1HDAC8HDAC6KMT2A
SCHEMBL19272912 0.84 L3MBTL1 (0.46) SMPD1KMT2ARENPDE4APDE4B
SCHEMBL19252776 0.83 REN (0.46) SMPD1KMT2AREN
SCHEMBL19087123 0.82 REN (0.47) SMPD1HDAC1HDAC8HDAC6REN
SCHEMBL17709394 0.82 REN (0.45) SMPD1KMT2AREN
SCHEMBL16930243 0.81 REN (0.48) SMPD1KMT2ARENMTNR1AMTNR1B
SCHEMBL19270678 0.80 SLC22A12 (0.45) ALDH1A1CYP1A2CYP3A4
SCHEMBL17709371 0.80 REN (0.47) SMPD1KMT2ARENMTNR1AMTNR1B

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109071447-B Tetracyclic pyridinone compounds as antiviral agents 诺华股份有限公司 2022-04-22 — — CN disclosed
EP-3416946-B1 TETRACYCLIC PYRIDONE COMPOUNDS AS ANTIVIRALS NOVARTIS AG (CH) 2021-09-15 — — EP disclosed
EP-3416946-B1 TETRACYCLIC PYRIDONE COMPOUNDS AS ANTIVIRALS NOVARTIS AG (CH) 2021-09-15 — — EP disclosed
US-20200270265-A1 TETRACYCLIC PYRIDONE COMPOUNDS AS ANTIVIRALS NOVARTIS AG (CH) 2020-08-27 — — US disclosed
US-20200270265-A1 TETRACYCLIC PYRIDONE COMPOUNDS AS ANTIVIRALS NOVARTIS AG (CH) 2020-08-27 — — US disclosed
EP-3215504-B1 6,7-DIHYDROBENZO[A]QUINOLIZIN-2-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2019-08-21 — — EP disclosed
EP-3215504-B1 6,7-DIHYDROBENZO[A]QUINOLIZIN-2-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2019-08-21 — — EP disclosed
EP-3416946-A1 TETRACYCLIC PYRIDONE COMPOUNDS AS ANTIVIRALS Novartis AG (CH) 2018-12-26 — — EP disclosed
US-10093673-B2 Tetracyclic pyridone compounds as antivirals NOVARTIS AG (CH) 2018-10-09 — — US disclosed
US-20180030053-A1 TETRACYCLIC PYRIDONE COMPOUNDS AS ANTIVIRALS NOVARTIS AG (CH) 2018-02-01 — — US disclosed
WO-2017108630-A1 COMBINATION THERAPY OF AN HBSAG INHIBITOR AND AN HBV CAPSID ASSEMBLY INHIBITOR F. HOFFMANN-LA ROCHE AG (CH) 2017-06-29 — — WO disclosed
WO-2017102648-A1 COMBINATION THERAPY OF AN HBSAG INHIBITOR AND A NUCLEOS(T)IDE ANALOGUE F. HOFFMANN-LA ROCHE AG (CH) 2017-06-22 — — WO disclosed
WO-2017102648-A1 COMBINATION THERAPY OF AN HBSAG INHIBITOR AND A NUCLEOS(T)IDE ANALOGUE F. HOFFMANN-LA ROCHE AG (CH) 2017-06-22 — — WO disclosed
US-9637485-B2 6,7-dihydrobenzo[a]quinolizin-2-one derivatives for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2017-05-02 — — US disclosed
US-9637485-B2 6,7-dihydrobenzo[a]quinolizin-2-one derivatives for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2017-05-02 — — US disclosed
US-9637485-B2 6,7-dihydrobenzo[a]quinolizin-2-one derivatives for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2017-05-02 — — US disclosed
WO-2016071215-A1 NOVEL 6,7-DIHYDROBENZO[A]QUINOLIZIN-2-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2016-05-12 — — WO disclosed
US-20160122344-A1 Novel 6,7-dihydrobenzo[a]quinolizin-2-one derivatives for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2016-05-05 — — US disclosed
US-20160122344-A1 Novel 6,7-dihydrobenzo[a]quinolizin-2-one derivatives for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2016-05-05 — — US disclosed
US-20160122344-A1 Novel 6,7-dihydrobenzo[a]quinolizin-2-one derivatives for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2016-05-05 — — 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 (4 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-20200270265-A1 TETRACYCLIC PYRIDONE COMPOUNDS AS ANTIVIRALS PNPO, HAVCR2, TYMP SMPD1 3682/4885HDAC1 1469/4885HDAC8 3172/4885
US-10093673-B2 Tetracyclic pyridone compounds as antivirals PNPO, HAVCR2, TYMP SMPD1 3682/4885HDAC1 1469/4885HDAC8 3172/4885
US-20160122344-A1 Novel 6,7-dihydrobenzo[a]quinolizin-2-one derivatives for the treatment and prophylaxis of hepatitis B virus infection HAVCR2, SLC10A1, CYP2D6 SMPD1 4165/4885HDAC1 370/4885HDAC8 1818/4885
US-20180030053-A1 TETRACYCLIC PYRIDONE COMPOUNDS AS ANTIVIRALS PNPO, HAVCR2, TYMP SMPD1 3682/4885HDAC1 1469/4885HDAC8 3172/4885

“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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