SCHEMBL4663260

SCHEMBL4663260

COC1=CC(=O)OC1CCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.52
PLA2G6 O60733 2/20 0.41
PLA2G4A P47712 1/20 0.41
SOAT1 P35610 1/20 0.40
APP P05067 1/20 0.38
FASN P49327 1/20 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
SCHEMBL4666667 0.82 CYP3A4 (0.47) CYP3A4APPFASN
SCHEMBL4663335 0.81 CYP3A4 (0.48) CYP3A4
SCHEMBL4496886 0.78 CYP3A4 (0.43) CYP3A4PLA2G6PLA2G4AFASN
SCHEMBL18214368 0.76 CYP3A4 (0.54) CYP3A4PLA2G6PLA2G4AAPPFASN
SCHEMBL9016220 0.75 CYP3A4 (0.53) CYP3A4PLA2G6PLA2G4AAPPFASN
SCHEMBL10358232 0.71 CYP3A4 (0.46) CYP3A4APP
SCHEMBL10531250 0.71 CYP3A4 (0.46) CYP3A4APP
SCHEMBL8985145 0.70 PLA2G6 (0.44) CYP3A4PLA2G6PLA2G4AFASN
SCHEMBL7978253 0.70 PLA2G6 (0.58) PLA2G6PLA2G4AFASN
Dihydrokawain SCHEMBL5672433 0.69 CYP3A4 (1.00) CYP3A4FASN

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-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 US disclosed
EP-1689729-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. Hoffmann-La Roche AG (CH) 2006-08-16 EP disclosed
WO-2005058857-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed
US-20050119329-A1 Tetronic and tetramic acids HOFFMANN-LA ROCHE INC. 2005-06-02 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 (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-20080132562-A1 TETRONIC AND TETRAMIC ACIDS BACE1, PSEN1, BACE2 CYP3A4 2131/4885PLA2G6 1155/4885PLA2G4A 2775/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 CYP3A4 2131/4885PLA2G6 1155/4885PLA2G4A 2775/4885

“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.