SCHEMBL4663239

SCHEMBL4663239

O=C1OC(CCCN2CCOCC2)C(O)=C1C(=O)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.44
CNR1 P21554 3/20 0.44
ALDH1A1 P00352 3/20 0.43
EPHX2 P34913 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX1 P07099 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36

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 0.94 CYP1A2 (0.40) CNR2CNR1ALDH1A1MEN1KMT2A
SCHEMBL4664924 0.84 ALDH1A1 (0.43) CNR2CNR1ALDH1A1EPHX2MEN1
SCHEMBL4666707 0.84 PKM (0.39) CNR2ALDH1A1KMT2AEPHX1GAA
SCHEMBL4663080 0.83 CNR2 (0.48) CNR2CNR1MEN1KMT2A
SCHEMBL4663079 0.83 ALDH1A1 (0.47) CNR2CNR1ALDH1A1EPHX2MEN1
SCHEMBL4663078 0.76 PTPN1 (0.41) CNR2ALDH1A1MEN1KMT2AGAA
SCHEMBL4663356 0.76 ALDH1A1 (0.46) ALDH1A1EPHX2KMT2ASMN1; SMN2GAA
SCHEMBL4663362 0.75 NR5A2 (0.48) ALDH1A1HSD17B10
SCHEMBL4664732 0.74 EPHX2 (0.41) ALDH1A1EPHX2KMT2ASMN1; SMN2EPHX1
SCHEMBL4664758 0.74 ALDH1A1 (0.42) ALDH1A1KMT2ASMN1; SMN2GAACYP2D6

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 CNR2 3325/4885CNR1 2161/4885ALDH1A1 2826/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 CNR2 3325/4885CNR1 2161/4885ALDH1A1 2826/4885

“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.