SCHEMBL4664948

SCHEMBL4664948

COc1ccc(CC(=O)C2=C(O)C(CCCN3CCOCC3)OC2=O)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.45
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.45
FPR1 P21462 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL4664956 0.93 ALDH1A1 (0.47) MAPK1L3MBTL1LMNAMAPTALDH1A1
SCHEMBL4664954 0.91 ALDH1A1 (0.41) MAPK1L3MBTL1MAPTALDH1A1FPR1
SCHEMBL4666777 0.89 MAPK1 (0.46) MAPK1L3MBTL1LMNAMAPTALDH1A1
SCHEMBL4665102 0.84 ALDH1A1 (0.41) MAPTALDH1A1FPR1KDM4EKMT2A
SCHEMBL4664899 0.82 ALDH1A1 (0.53) L3MBTL1ALDH1A1KDM4EKMT2AGAA
SCHEMBL4666623 0.82 FKBP1A (0.49) MAPK1MAPTALDH1A1KDM4E
SCHEMBL4666710 0.81 POLB (0.46) ALDH1A1
SCHEMBL4664798 0.80 KDM4E (0.54) LMNAMAPTALDH1A1KDM4EHPGD
SCHEMBL4666664 0.79 ALDH1A1 (0.44) MAPK1L3MBTL1LMNAMAPTALDH1A1
SCHEMBL4663356 0.78 ALDH1A1 (0.46) MAPK1L3MBTL1LMNAMAPTALDH1A1

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 MAPK1 2486/4885L3MBTL1 3123/4885LMNA 1625/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 MAPK1 2486/4885L3MBTL1 3123/4885LMNA 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.