SCHEMBL6137787

SCHEMBL6137787

CCC1(O)C(C)=CC(=O)N1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
ELANE P08246 3/20 0.44
NPSR1 Q6W5P4 1/20 0.42
CYP2C19 P33261 3/20 0.40
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
MGLL Q99685 1/20 0.39
RGS4 P49798 1/20 0.38
MDM2 Q00987 1/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
CYP2D6 P10635 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
F2 P00734 1/20 0.37
PLG P00747 1/20 0.37
CTSG P08311 1/20 0.37
CMA1 P23946 1/20 0.37
CTRC Q99895 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
SCHEMBL6140315 0.70 KCNH2 (0.40) ALDH1A1MGLL
SCHEMBL15399601 0.69 MDM2 (0.51) ALDH1A1MDM2
SCHEMBL24478723 0.67 ALDH1A1 (0.51) ALDH1A1ELANENPSR1GSK3AGSK3B
SCHEMBL15399045 0.65 MDM2 (0.60) MDM2
SCHEMBL10948588 0.64 ELANE (0.48) ALDH1A1ELANENPSR1CYP2C19CTSG
SCHEMBL21328318 0.63 ALDH1A1 (0.39) ALDH1A1ELANENPSR1CYP2C19HTT
SCHEMBL25166916 0.63 MDM2 (0.48) MDM2
SCHEMBL24478742 0.63 MMP2 (0.41) ALDH1A1ELANENPSR1GSK3AGSK3B
SCHEMBL6228586 0.63 ELANE (0.46) ALDH1A1ELANENPSR1CYP2C19CTSG
SCHEMBL19923749 0.62 NPSR1 (0.64) ALDH1A1ELANENPSR1CYP2C19GSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050215772-A1 Furanone derivatives and methods of making same BIOSIGNAL LIMITED (AT) 2005-09-29 US disclosed
EP-1539692-A4 FURANONE DERIVATIVES AND METHODS OF MAKING SAME BIOSIGNAL LTD (AU) 2005-08-24 EP disclosed
EP-1539692-A1 FURANONE DERIVATIVES AND METHODS OF MAKING SAME Biosignal Limited (AU) 2005-06-15 EP disclosed
WO-2004016588-A1 FURANONE DERIVATIVES AND METHODS OF MAKING SAME BIOSIGNAL LIMITED (AU) 2004-02-26 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-20050215772-A1 Furanone derivatives and methods of making same PFAS, CFAP20, FDPS ALDH1A1 1907/4885ELANE 2748/4885NPSR1 1349/4885

“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.