SCHEMBL4665121

SCHEMBL4665121

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
LMNA P02545 2/20 0.45
HSD17B10 Q99714 1/20 0.45
KDM4A O75164 1/20 0.43
CDC25A P30304 1/20 0.38
CDC25B P30305 1/20 0.38
DUSP3 P51452 1/20 0.38
ALDH1A1 P00352 3/20 0.37
CRHBP P24387 2/20 0.36
CRHR2 Q13324 2/20 0.36
HPSE Q9Y251 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EPHX2 P34913 2/20 0.34
EPHX1 P07099 1/20 0.34
FASN P49327 1/20 0.34
KCNQ2 O43526 1/20 0.34

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
SCHEMBL4665124 1.00 POLB (0.45) POLBLMNAHSD17B10KDM4ACDC25A
SCHEMBL4665117 1.00 POLB (0.45) POLBLMNAHSD17B10KDM4ACDC25A
SCHEMBL4664871 0.85 ALDH1A1 (0.39) POLBCDC25ACDC25BDUSP3ALDH1A1
SCHEMBL4664865 0.85 ALDH1A1 (0.39) POLBCDC25ACDC25BDUSP3ALDH1A1
SCHEMBL4664874 0.85 ALDH1A1 (0.39) POLBCDC25ACDC25BDUSP3ALDH1A1
SCHEMBL4663310 0.84 CDC25B (0.39) POLBCDC25ACDC25BDUSP3ALDH1A1
SCHEMBL4663061 0.83 LMNA (0.47) POLBLMNAHSD17B10KDM4ACDC25A
SCHEMBL4663054 0.81 ALDH1A1 (0.39) POLBCDC25ACDC25BDUSP3ALDH1A1
SCHEMBL4663052 0.81 ALDH1A1 (0.39) POLBCDC25ACDC25BDUSP3ALDH1A1
SCHEMBL4663050 0.81 ALDH1A1 (0.39) POLBCDC25ACDC25BDUSP3ALDH1A1

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 1560/4885LMNA 1625/4885HSD17B10 1577/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 POLB 1560/4885LMNA 1625/4885HSD17B10 1577/4885

“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.