SCHEMBL4664908

SCHEMBL4664908

CC(=O)c1ccc2ccccc2c1CC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
KDM4E B2RXH2 3/20 0.63
GAA P10253 2/20 0.63
HPGD P15428 2/20 0.63
GLA P06280 1/20 0.63
HSD17B10 Q99714 1/20 0.63
TDP1 Q9NUW8 1/20 0.50
WDR5 P61964 1/20 0.47
LDHA P00338 1/20 0.46
AKR1B1 P15121 2/20 0.45
NR1H4 Q96RI1 1/20 0.44
MAPT P10636 2/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MAOB P27338 1/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.43
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 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
SCHEMBL4535161 0.83 NCEH1 (0.51) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL15636146 0.82 LMNA (0.50) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL8580920 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL28150825 0.80 WDR5 (0.56) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL29669502 0.79 KDM4E (0.67) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL350989 0.79 KDM4E (0.67) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL5426781 0.79 CYP1A2 (0.49) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL5802341 0.78 KDM4E (0.65) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL21569594 0.78 NCEH1 (0.56) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL4889683 0.77 KDM4E (1.00) ALDH1A1KDM4EGAAHPGDGLA

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
CN-101237854-B Lipid construct for delivery of insulin to a mammal SDG INC 2013-03-27 CN disclosed
CN-101237854-A Lipid construct for delivery of insulin to a mammal SDG INC (US) 2008-08-06 CN disclosed
CN-101237855-A Lipid construct for delivery of interferon to a mammal SDG INC (US) 2008-08-06 CN disclosed
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 US disclosed
CN-1886391-A Teramic acid and threonine as beta-secretase inhibitors HOFFMANN LA ROCHE (CH) 2006-12-27 CN 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 2826/4885KDM4E 3412/4885GAA 70/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 ALDH1A1 2826/4885KDM4E 3412/4885GAA 70/4885

“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.