SCHEMBL4666580

SCHEMBL4666580

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
POLB P06746 2/20 0.45
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
STAT3 P40763 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 5/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 2/20 0.38
CDC25A P30304 1/20 0.38
CDC25B P30305 1/20 0.38
DUSP3 P51452 1/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL4662986 0.90 SMN1; SMN2 (0.42) SMN1; SMN2POLBHSD17B10MEN1MAPK1
SCHEMBL4664925 0.85 HPGD (0.46) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL4664730 0.84 POLB (0.48) SMN1; SMN2POLBHSD17B10MEN1MAPK1
SCHEMBL4662958 0.82 SMN1; SMN2 (0.46) SMN1; SMN2POLBHSD17B10MEN1MAPK1
SCHEMBL4664983 0.80 HPGD (0.52) SMN1; SMN2POLBHSD17B10MEN1MAPK1
SCHEMBL4662964 0.80 SMN1; SMN2 (0.44) SMN1; SMN2POLBHSD17B10MEN1KMT2A
SCHEMBL4664653 0.77 HSD17B10 (0.49) HSD17B10MEN1HTTKMT2AALDH1A1
SCHEMBL4662924 0.76 LMNA (0.39) SMN1; SMN2POLBMEN1MAPK1HTT
SCHEMBL4663032 0.76 PTPN1 (0.40) POLBMEN1KMT2AALDH1A1CDC25A
SCHEMBL4664866 0.76 HPGD (0.43) SMN1; SMN2MEN1HTTKMT2AHPGD

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 6 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
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 SMN1; SMN2 1277/4885POLB 1560/4885HSD17B10 1577/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 SMN1; SMN2 1277/4885POLB 1560/4885HSD17B10 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.