SCHEMBL4664699

SCHEMBL4664699

O=C1C=C(O)C(CCc2ccc(OCc3ccccc3)cc2)O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.50
FFAR4 Q5NUL3 2/20 0.50
LTA4H P09960 1/20 0.48
EPHX2 P34913 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
CYP2C19 P33261 1/20 0.48
PTGS2 P35354 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HIF1A Q16665 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
BCHE P06276 3/20 0.45
HRH3 Q9Y5N1 1/20 0.44
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
ALOX5 P09917 1/20 0.43
GRM2 Q14416 1/20 0.43

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
SCHEMBL4663335 0.83 CYP3A4 (0.48) FFAR1FFAR4LTA4HEPHX2BCHE
SCHEMBL4496886 0.78 CYP3A4 (0.43) SLC6A3HDAC6
SCHEMBL8889741 0.76 FFAR1 (0.48) FFAR1FFAR4LTA4HEPHX2BCHE
SCHEMBL1799995 0.74 LMNA (0.47) LMNABCHE
SCHEMBL7859396 0.72 LTA4H (0.56) FFAR1FFAR4LTA4HEPHX2LMNA
SCHEMBL4663286 0.72 FFAR1 (0.46) FFAR1FFAR4LTA4H
SCHEMBL3421201 0.71 LMNA (0.85) FFAR1FFAR4LTA4HEPHX2LMNA
SCHEMBL6604755 0.70 LMNA (0.48) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL11359999 0.70 LTA4H (0.54) FFAR1FFAR4LTA4HEPHX2LMNA
SCHEMBL5700 0.68 LTA4H (0.80) FFAR1FFAR4LTA4HEPHX2LMNA

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 FFAR1 601/4885FFAR4 1654/4885LTA4H 1086/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 FFAR1 601/4885FFAR4 1654/4885LTA4H 1086/4885

“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.