SCHEMBL4664764

SCHEMBL4664764

COC1=CC(=O)OC1CC1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.35
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
ACHE P22303 1/20 0.33
EPHX2 P34913 1/20 0.32
PARP15 Q460N3 1/20 0.32
PARP10 Q53GL7 1/20 0.32
CYP3A4 P08684 1/20 0.31
POLB P06746 1/20 0.31
CREBBP Q92793 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HCAR2 Q8TDS4 1/20 0.30
DAO P14920 2/20 0.30

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
SCHEMBL4502718 0.86 HCAR2 (0.34) EPHX2PARP15PARP10CYP3A4HCAR2
SCHEMBL4502783 0.76 DAO (0.35) BRD4DAO
SCHEMBL4663345 0.70 LMNA (0.32) CYP3A4
SCHEMBL4664930 0.66
SCHEMBL4502105 0.65 DAO (0.40) DAO
SCHEMBL10359199 0.64
SCHEMBL25135257 0.61 CA1 (0.32) CYP3A4
SCHEMBL8180406 0.61 BRD4 (0.43) BRD4MMP1MMP3MMP9CREBBP
SCHEMBL14752078 0.60 BRD4 (0.33) BRD4MMP1MMP3MMP9DAO
SCHEMBL21410674 0.58 CYP1A2 (0.34) ACHEDAO

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 BRD4 2700/4885MMP1 138/4885MMP3 362/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 BRD4 2700/4885MMP1 138/4885MMP3 362/4885

“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.