SCHEMBL4664730

SCHEMBL4664730

COc1ccccc1OCC(=O)C1=C(O)C(Cc2ccccc2)OC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 4/20 0.42
HSD17B10 Q99714 3/20 0.41
HPGD P15428 3/20 0.40
MAPT P10636 2/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
RXRA P19793 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 1/20 0.39
STAT3 P40763 1/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CDC25A P30304 1/20 0.38
CDC25B P30305 1/20 0.38
DUSP3 P51452 1/20 0.38

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
SCHEMBL4662958 0.89 SMN1; SMN2 (0.46) POLBSMN1; SMN2LMNAHSD17B10HPGD
SCHEMBL4662964 0.87 SMN1; SMN2 (0.44) POLBSMN1; SMN2LMNAHSD17B10HPGD
SCHEMBL4666580 0.84 SMN1; SMN2 (0.45) POLBSMN1; SMN2LMNAHSD17B10HPGD
SCHEMBL4662986 0.81 SMN1; SMN2 (0.42) POLBSMN1; SMN2LMNAHSD17B10HPGD
SCHEMBL4664983 0.80 HPGD (0.52) POLBSMN1; SMN2LMNAHSD17B10HPGD
SCHEMBL4663227 0.76 CDC25B (0.43) SMN1; SMN2LMNAHSD17B10MAPTHTT
SCHEMBL4664798 0.75 KDM4E (0.54) SMN1; SMN2LMNAHPGDMAPTMEN1
SCHEMBL4664907 0.73 ALDH1A1 (0.48) SMN1; SMN2LMNAHSD17B10HPGDMAPT
SCHEMBL4664819 0.73 CDC25B (0.37) SMN1; SMN2LMNAHSD17B10HPGDMAPT
SCHEMBL4665011 0.72 SMN1; SMN2 (0.45) POLBSMN1; SMN2LMNAHSD17B10MRGPRX4

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 1560/4885SMN1; SMN2 1277/4885LMNA 1625/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 POLB 1560/4885SMN1; SMN2 1277/4885LMNA 1625/4885

“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.