SCHEMBL5524159

SCHEMBL5524159

C=Cc1cccc(C2(C)OC=CC2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HCAR2 Q8TDS4 9/20 0.36
HCAR3 P49019 6/20 0.35
CYP1A2 P05177 1/20 0.35
DRD2 P14416 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
PTGS2 P35354 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL3101214 0.78 HCAR2 (0.56) HCAR2HCAR3CYP1A2DRD2SIGMAR1
SCHEMBL5531839 0.76 HCAR2 (0.57) HCAR2HCAR3CYP1A2DRD2SIGMAR1
SCHEMBL11414250 0.76 HCAR2 (0.53) HCAR2HCAR3CYP1A2DRD2SIGMAR1
SCHEMBL3105605 0.75 HCAR2 (0.68) HCAR2HCAR3CYP1A2
SCHEMBL3100362 0.75 HCAR2 (0.43) HCAR2HCAR3CYP1A2DRD2SIGMAR1
SCHEMBL5522029 0.73 HCAR2 (0.41) HCAR2HCAR3CYP1A2
SCHEMBL5520638 0.67 HCAR2 (0.40) HCAR2HCAR3CYP1A2DRD2SIGMAR1
SCHEMBL5521792 0.67 HCAR2 (0.51) HCAR2HCAR3CYP1A2DRD2SIGMAR1
SCHEMBL5526210 0.65 HCAR2 (0.54) HCAR2HCAR3CYP1A2
SCHEMBL21881 0.63 TDP1 (0.67) TP53TDP1CYP1A2PTGS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070093545-A1 4-Oxo-4,5-dihydro-furan-2-carboxylic acid derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2007-04-26 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 (1 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-20070093545-A1 4-Oxo-4,5-dihydro-furan-2-carboxylic acid derivatives and methods of treatment of metabolic-related disorders thereof ABAT, G6PD, GLS2 TP53 2531/4885TDP1 3356/4885HCAR2 229/4885

“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.