SCHEMBL4665115

SCHEMBL4665115

O=C1OC(CCc2ccccc2)C(O)=C1C(=O)C(O)Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
TRPA1 O75762 1/20 0.37
FASN P49327 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
CDC25A P30304 1/20 0.35
CDC25B P30305 1/20 0.35
DUSP3 P51452 1/20 0.35
KEAP1 Q14145 1/20 0.35
MDM2 Q00987 1/20 0.35
GLS O94925 4/20 0.34
CYP1A2 P05177 1/20 0.34
KDM4E B2RXH2 1/20 0.34
FFAR1 O14842 1/20 0.33
KCNH2 Q12809 1/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33

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
SCHEMBL4665123 1.00 ALDH1A1 (0.37) ALDH1A1TRPA1FASNTRPV1CDC25A
SCHEMBL4665119 1.00 ALDH1A1 (0.37) ALDH1A1TRPA1FASNTRPV1CDC25A
SCHEMBL4664844 0.86 SLC7A5 (0.44) ALDH1A1FASNCDC25ACDC25BDUSP3
SCHEMBL4664838 0.86 SLC7A5 (0.44) ALDH1A1FASNCDC25ACDC25BDUSP3
SCHEMBL4664841 0.86 SLC7A5 (0.44) ALDH1A1FASNCDC25ACDC25BDUSP3
SCHEMBL4663052 0.82 ALDH1A1 (0.39) ALDH1A1FASNCDC25ACDC25BDUSP3
SCHEMBL4663050 0.82 ALDH1A1 (0.39) ALDH1A1FASNCDC25ACDC25BDUSP3
SCHEMBL4663054 0.82 ALDH1A1 (0.39) ALDH1A1FASNCDC25ACDC25BDUSP3
SCHEMBL4664871 0.81 ALDH1A1 (0.39) ALDH1A1FASNCDC25ACDC25BDUSP3
SCHEMBL4664874 0.81 ALDH1A1 (0.39) ALDH1A1FASNCDC25ACDC25BDUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 US claimed
EP-1689729-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. Hoffmann-La Roche AG (CH) 2006-08-16 EP claimed
WO-2005058857-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO claimed
US-20050119329-A1 Tetronic and tetramic acids HOFFMANN-LA ROCHE INC. 2005-06-02 US claimed
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 ALDH1A1 2826/4885TRPA1 1007/4885FASN 953/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 ALDH1A1 2826/4885TRPA1 1007/4885FASN 953/4885

“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.