SCHEMBL4472159

SCHEMBL4472159

CC(=O)C#CC1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
FFAR1 O14842 2/20 0.34
FFAR4 Q5NUL3 2/20 0.34
KCNH2 Q12809 1/20 0.33
CHRM2 P08172 5/20 0.32
CHRM4 P08173 5/20 0.32
CHRM5 P08912 5/20 0.32
CHRM1 P11229 5/20 0.32
CHRM3 P20309 5/20 0.32
EPHX1 P07099 5/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
EPHX2 P34913 1/20 0.31
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL10616758 0.98 FFAR1 (0.33) CES2CES1FFAR1FFAR4KCNH2
SCHEMBL4486152 0.87
SCHEMBL31069806 0.78 FFAR1 (0.39) CES2CES1FFAR1FFAR4KCNH2
SCHEMBL420248 0.78 FFAR1 (0.39) CES2CES1FFAR1FFAR4KCNH2
SCHEMBL3988846 0.77 FFAR1 (0.30) FFAR1FFAR4
SCHEMBL18104919 0.77 FFAR1 (0.34) CES2CES1FFAR1FFAR4KCNH2
SCHEMBL14336987 0.76 NPSR1 (0.36) CES2CES1FFAR1FFAR4KCNH2
SCHEMBL14894251 0.75 FFAR1 (0.37) CES2CES1FFAR1FFAR4
SCHEMBL20089250 0.73 KCNH2 (0.32) FFAR1FFAR4KCNH2
SCHEMBL3001721 0.73 NPSR1 (0.33) FFAR1FFAR4SMN1; SMN2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3307256-A1 HYDROXYLATED TROPOLONE INHIBITORS OF NUCLEOTIDYL TRANSFERASES IN HERPESVIRUS AND HEPATITIS B AND USES THEREFOR Saint Louis University (US) 2018-04-18 EP disclosed
WO-2016201243-A1 HYDROXYLATED TROPOLONE INHIBITORS OF NUCLEOTIDYL TRANSFERASES IN HERPESVIRUS AND HEPATITS B AND USES THEREFOR SAINT LOUIS UNIVERSITY (US) 2016-12-15 WO disclosed
US-7582630-B2 Pyradazine compounds as GSK-3 inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-09-01 US disclosed
US-20060069097-A1 Pyradazine compounds as gsk-3 inhibitors SMITHKLINE BEECHAM CORPORATION 2006-03-30 US disclosed
EP-1551842-A1 PYRADAZINE COMPOUNDS AS GSK-3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-13 EP disclosed
WO-2004035588-A1 PYRADAZINE COMPOUNDS AS GSK-3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-29 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 (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-20060069097-A1 Pyradazine compounds as gsk-3 inhibitors GSK3B, GSK3A, GSKIP CES2 3872/4885CES1 1549/4885FFAR1 4383/4885

“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.