SCHEMBL4663335

SCHEMBL4663335

COC1=CC(=O)OC1CCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
BCHE P06276 2/20 0.45
FFAR1 O14842 2/20 0.45
FFAR4 Q5NUL3 1/20 0.45
GRM2 Q14416 1/20 0.44
FAAH O00519 1/20 0.43
MGLL Q99685 1/20 0.43
LTA4H P09960 1/20 0.43
EPHX2 P34913 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
KDM4C Q9H3R0 1/20 0.42
ABCB1 P08183 1/20 0.41
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4664699 0.83 FFAR1 (0.50) BCHEFFAR1FFAR4GRM2LTA4H
SCHEMBL4663260 0.81 CYP3A4 (0.52) CYP3A4
SCHEMBL4666667 0.75 CYP3A4 (0.47) CYP3A4MEN1KMT2AGRM2
SCHEMBL8889741 0.74 FFAR1 (0.48) BCHEFFAR1FFAR4GRM2MGLL
SCHEMBL18214368 0.72 CYP3A4 (0.54) CYP3A4
SCHEMBL9016220 0.71 CYP3A4 (0.53) CYP3A4MEN1KMT2A
SCHEMBL11359999 0.68 LTA4H (0.54) MEN1KMT2ABCHEFFAR1FFAR4
SCHEMBL791985 0.68 MAOB (0.69) MEN1KMT2ABCHELTA4HABCB1
SCHEMBL7859396 0.67 LTA4H (0.56) BCHEFFAR1FFAR4LTA4HEPHX2
SCHEMBL4407617 0.67 ENPP2 (0.62) MEN1KMT2ABCHEFFAR1FFAR4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP3A4 2131/4885MEN1 1292/4885KMT2A 3781/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 CYP3A4 2131/4885MEN1 1292/4885KMT2A 3781/4885

“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.