SCHEMBL4662967

SCHEMBL4662967

O=C1OC(CCCN2CCOCC2)C(O)=C1C(=O)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
CNR2 P34972 6/20 0.38
CNR1 P21554 3/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
MDM2 Q00987 1/20 0.35

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
SCHEMBL4663239 0.94 CNR2 (0.44) CYP1A2CYP2D6CYP2C19CNR2CNR1
SCHEMBL4663080 0.86 CNR2 (0.48) CNR2CNR1MEN1KMT2AMDM2
SCHEMBL4666707 0.85 PKM (0.39) CYP2D6CYP2C19CNR2ALDH1A1KMT2A
SCHEMBL4664924 0.81 ALDH1A1 (0.43) CNR2CNR1ALDH1A1SMN1; SMN2MEN1
SCHEMBL4663078 0.79 PTPN1 (0.41) CYP2D6CYP2C19CNR2ALDH1A1MEN1
SCHEMBL4663079 0.79 ALDH1A1 (0.47) CNR2CNR1ALDH1A1SMN1; SMN2MEN1
SCHEMBL4663356 0.78 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4663362 0.78 NR5A2 (0.48) ALDH1A1MDM2
SCHEMBL4664758 0.77 ALDH1A1 (0.42) CYP2D6CYP2C19ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4664875 0.76 POLB (0.52) ALDH1A1SMN1; SMN2MEN1KMT2A

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 CYP1A2 2117/4885CYP2D6 2202/4885CYP2C19 1751/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 CYP1A2 2117/4885CYP2D6 2202/4885CYP2C19 1751/4885

“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.