SCHEMBL4663319

SCHEMBL4663319

CC1(CCc2ccccc2)OC(=O)C=C1O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ATM Q13315 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HSD11B1 P28845 1/20 0.37
XIAP P98170 1/20 0.36
ELANE P08246 1/20 0.36
CTSG P08311 1/20 0.36
PRTN3 P24158 1/20 0.36
BACE1 P56817 2/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL4666624 0.79 CYP3A4 (0.44) GAAL3MBTL1ATMALDH1A1ELANE
SCHEMBL4664750 0.77 GAA (0.40) GAAL3MBTL1ATMALDH1A1XIAP
SCHEMBL8007692 0.74 ALDH1A1 (0.38) GAAL3MBTL1ALDH1A1TSHR
SCHEMBL6604162 0.74 ALDH1A1 (0.38) GAAL3MBTL1ALDH1A1TSHR
SCHEMBL7406895 0.71 ALDH1A1 (0.40) GAAL3MBTL1ALDH1A1HSD11B1XIAP
SCHEMBL17151112 0.70 GAA (0.42) GAAL3MBTL1ATMTSHR
SCHEMBL6296227 0.69 GAA (0.39) GAAL3MBTL1ALDH1A1HSD11B1BACE1
SCHEMBL6297922 0.69 GAA (0.39) GAAL3MBTL1ALDH1A1HSD11B1BACE1
SCHEMBL5795799 0.69 MLNR (0.39) GAAL3MBTL1ALDH1A1HSD11B1BACE1
SCHEMBL6702703 0.69 MLNR (0.39) GAAL3MBTL1ALDH1A1HSD11B1BACE1

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 GAA 70/4885L3MBTL1 3123/4885ATM 4649/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 GAA 70/4885L3MBTL1 3123/4885ATM 4649/4885

“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.