SCHEMBL4664790

SCHEMBL4664790

C[C@H](CC(=O)C1=C(O)[C@H](CCc2ccccc2)OC1=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
CDC25B P30305 4/20 0.36
DUSP3 P51452 2/20 0.36
CDC25A P30304 1/20 0.36
PTPN1 P18031 4/20 0.36
ACP1 P24666 3/20 0.36
HPSE Q9Y251 2/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTPN2 P17706 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 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
SCHEMBL4664794 1.00 POLB (0.39) POLBL3MBTL1ALDH1A1HPGDCYP3A4
SCHEMBL4664788 1.00 POLB (0.39) POLBL3MBTL1ALDH1A1HPGDCYP3A4
SCHEMBL4665122 0.89 ALDH1A1 (0.37) ALDH1A1HPGDCYP3A4CDC25BDUSP3
SCHEMBL4663308 0.87 ALDH1A1 (0.38) POLBALDH1A1CYP3A4CDC25BDUSP3
SCHEMBL4665112 0.84 HPGD (0.39) POLBL3MBTL1ALDH1A1HPGDCYP3A4
SCHEMBL4664871 0.83 ALDH1A1 (0.39) POLBL3MBTL1ALDH1A1CYP3A4CDC25B
SCHEMBL4664865 0.83 ALDH1A1 (0.39) POLBL3MBTL1ALDH1A1CYP3A4CDC25B
SCHEMBL4664874 0.83 ALDH1A1 (0.39) POLBL3MBTL1ALDH1A1CYP3A4CDC25B
SCHEMBL4663057 0.82 CDC25B (0.36) ALDH1A1HPGDRAB9ACDC25BDUSP3
SCHEMBL4662950 0.81 HPGD (0.36) POLBL3MBTL1ALDH1A1HPGDCYP3A4

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 POLB 1560/4885L3MBTL1 3123/4885ALDH1A1 2826/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 POLB 1560/4885L3MBTL1 3123/4885ALDH1A1 2826/4885

“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.