SCHEMBL4663240

SCHEMBL4663240

COC1=CC(=O)OC1(CCc1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
HCAR3 P49019 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CMA1 P23946 1/20 0.35
SOAT1 P35610 1/20 0.35
OPRM1 P35372 2/20 0.34
OPRL1 P41146 2/20 0.34
DRD2 P14416 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
MMP13 P45452 1/20 0.33
NPC1 O15118 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
SCHEMBL4664750 0.79 GAA (0.40) L3MBTL1GAAMAPTHCAR3HCAR2
SCHEMBL18214383 0.72 CYP3A4 (0.50) CYP3A4KDM4EHPGDL3MBTL1GAA
SCHEMBL4502815 0.72 KDM4E (0.48) CYP3A4KDM4EHPGDL3MBTL1POLB
SCHEMBL4663319 0.66 GAA (0.47) L3MBTL1GAAALDH1A1
SCHEMBL8007692 0.65 ALDH1A1 (0.38) CYP3A4L3MBTL1GAAKMT2AHCAR3
SCHEMBL6604162 0.65 ALDH1A1 (0.38) CYP3A4L3MBTL1GAAKMT2AHCAR3
SCHEMBL6608641 0.62 ASAH1 (0.37) L3MBTL1GAALMNAKMT2AALDH1A1
SCHEMBL22015030 0.61 GAA (0.48) L3MBTL1GAAALDH1A1
SCHEMBL9876467 0.61 GAA (0.55) L3MBTL1GAAMAPTKMT2A
SCHEMBL7789538 0.60 GAA (0.47) L3MBTL1GAAMAPTKMT2AALDH1A1

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 2131/4885KDM4E 3412/4885HPGD 4570/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 CYP3A4 2131/4885KDM4E 3412/4885HPGD 4570/4885

“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.