SCHEMBL4666707

SCHEMBL4666707

O=C1OC(CCCN2CCOCC2)C(O)=C1C(=O)C1CCCO1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.39
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
GAA P10253 2/20 0.34
EPHX1 P07099 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CNR2 P34972 1/20 0.33
PLK1 P53350 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4662967 0.85 CYP1A2 (0.40) ALDH1A1CHRM2CHRM1CYP2D6CYP2C19
SCHEMBL4663239 0.84 CNR2 (0.44) PKMALDH1A1CHRM2CHRM1GAA
SCHEMBL4663080 0.81 CNR2 (0.48) CNR2KMT2A
SCHEMBL4664924 0.80 ALDH1A1 (0.43) PKMALDH1A1KDM4ECHRM2CHRM1
SCHEMBL4663079 0.79 ALDH1A1 (0.47) PKMALDH1A1CHRM2CHRM1GAA
SCHEMBL4663078 0.77 PTPN1 (0.41) ALDH1A1KDM4EGAACYP3A4CYP2D6
SCHEMBL4663356 0.76 ALDH1A1 (0.46) ALDH1A1GAAL3MBTL1MAPTKMT2A
SCHEMBL4664758 0.74 ALDH1A1 (0.42) ALDH1A1KDM4EGAACYP3A4CYP2D6
SCHEMBL4664875 0.74 POLB (0.52) ALDH1A1GAAL3MBTL1MAPTKMT2A
SCHEMBL4666703 0.73 HPGD (0.37) ALDH1A1KDM4ETSHRGAAMAPT

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 PKM 3258/4885ALDH1A1 2826/4885KDM4E 3412/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 PKM 3258/4885ALDH1A1 2826/4885KDM4E 3412/4885

“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.