SCHEMBL4663356

SCHEMBL4663356

O=C(Cc1ccccc1)C1=C(O)C(CCCN2CCOCC2)OC1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
POLB P06746 2/20 0.46
SIGMAR1 Q99720 1/20 0.46
EPHX2 P34913 1/20 0.44
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ABCB1 P08183 1/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 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
SCHEMBL4664875 0.89 POLB (0.52) ALDH1A1POLBSIGMAR1MAPTKMT2A
SCHEMBL4664737 0.88 CYP1A2 (0.42) ALDH1A1POLBSIGMAR1KMT2AL3MBTL1
SCHEMBL4664758 0.85 ALDH1A1 (0.42) ALDH1A1MAPTKMT2AGAASMN1; SMN2
SCHEMBL4665102 0.84 ALDH1A1 (0.41) ALDH1A1POLBMAPTKMT2ANPSR1
SCHEMBL4666716 0.83 ALDH1A1 (0.40) ALDH1A1MAPTKMT2AGAAHPGD
SCHEMBL4664787 0.81 TACR2 (0.50) ALDH1A1MAPTKMT2ASMN1; SMN2HPGD
SCHEMBL4664724 0.81 NPSR1 (0.46) POLBL3MBTL1NPSR1
SCHEMBL4664728 0.80 TSHR (0.43) ALDH1A1KMT2AL3MBTL1GAALMNA
SCHEMBL4665007 0.80 ALDH1A1 (0.42) ALDH1A1KMT2ALMNA
SCHEMBL4663078 0.79 PTPN1 (0.41) ALDH1A1MAPTKMT2AGAA

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 ALDH1A1 2826/4885POLB 1560/4885SIGMAR1 3367/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 ALDH1A1 2826/4885POLB 1560/4885SIGMAR1 3367/4885

“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.