SCHEMBL18422425

SCHEMBL18422425

COc1ccc(C2CCCCC2=O)cc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.56
PDE4B Q07343 1/20 0.56
PDE4C Q08493 1/20 0.56
PDE4D Q08499 1/20 0.56
SIRT2 Q8IXJ6 1/20 0.48
APP P05067 2/20 0.47
HSD17B10 Q99714 2/20 0.46
MAPK1 P28482 1/20 0.46
CSF1R P07333 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PKM P14618 1/20 0.46
SMPD1 P17405 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PRMT5 O14744 1/20 0.45
CHRNA7 P36544 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL31615321 0.95 APP (0.52) PDE4APDE4BPDE4CPDE4DAPP
SCHEMBL11844345 0.84 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL4129415 0.82 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL5696636 0.82 AR (0.44) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL7209583 0.79 ALDH1A1 (0.54) PDE4AHSD17B10MEN1KMT2AALDH1A1
SCHEMBL18423308 0.78 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DSIRT2
SCHEMBL7419187 0.78 PDE4B (0.66) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL29613171 0.77 PDE4A (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL19252804 0.77 PDE4A (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL5298551 0.76 HTR1A (0.51) MAPK1MEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107820496-B Tetracyclic 4-oxo-pyridine-3-carboxylic acid derivatives for the treatment and prevention of hepatitis B virus infections 豪夫迈·罗氏有限公司 2020-11-03 CN disclosed
EP-3328855-B1 NOVEL TETRACYCLIC 4-OXO-PYRIDINE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2019-05-15 EP disclosed
EP-3328855-B1 NOVEL TETRACYCLIC 4-OXO-PYRIDINE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2019-05-15 EP disclosed
US-10053461-B2 Tetracyclic 4-oxo-pyridine-3-carboxylic acid derivatives for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2018-08-21 US disclosed
EP-3328855-A1 NOVEL TETRACYCLIC 4-OXO-PYRIDINE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION H. Hoffnabb-La Roche Ag (CH) 2018-06-06 EP disclosed
US-20180127416-A1 NOVEL TETRACYCLIC 4-OXO-PYRIDINE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2018-05-10 US disclosed
US-20180127416-A1 NOVEL TETRACYCLIC 4-OXO-PYRIDINE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2018-05-10 US disclosed
US-20180127416-A1 NOVEL TETRACYCLIC 4-OXO-PYRIDINE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2018-05-10 US disclosed
WO-2017017042-A1 NOVEL TETRACYCLIC 4-OXO-PYRIDINE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2017-02-02 WO disclosed
WO-2017017042-A1 NOVEL TETRACYCLIC 4-OXO-PYRIDINE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2017-02-02 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-10053461-B2 Tetracyclic 4-oxo-pyridine-3-carboxylic acid derivatives for the treatment and prophylaxis of hepatitis B virus infection HAVCR2, CYP2B6, CYP7A1 PDE4A 4500/4885PDE4B 4439/4885PDE4C 4356/4885
US-20180127416-A1 NOVEL TETRACYCLIC 4-OXO-PYRIDINE-3-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP2B6, CYP7A1 PDE4A 4510/4885PDE4B 4323/4885PDE4C 4402/4885

“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.