SCHEMBL3100362

SCHEMBL3100362

CC1(c2cccc(-c3ccccc3)c2)OC=CC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 9/20 0.43
HCAR3 P49019 6/20 0.43
CYP1A2 P05177 1/20 0.43
HSD11B1 P28845 1/20 0.40
BACE1 P56817 3/20 0.40
DRD2 P14416 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CCR2 P41597 1/20 0.38
FAAH O00519 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSP90AA1 P07900 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
MGLL Q99685 1/20 0.37
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
PGR P06401 1/20 0.36
CTSD P07339 1/20 0.36

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
SCHEMBL11414250 0.86 HCAR2 (0.53) HCAR2HCAR3CYP1A2DRD2SIGMAR1
SCHEMBL3101214 0.80 HCAR2 (0.56) HCAR2HCAR3CYP1A2HSD11B1DRD2
SCHEMBL5531839 0.79 HCAR2 (0.57) HCAR2HCAR3CYP1A2DRD2SIGMAR1
SCHEMBL5515242 0.76 HCAR2 (0.59) HCAR2BACE1SIGMAR1ALDH1A1MGLL
SCHEMBL5516439 0.76 HCAR2 (0.59) HCAR2HCAR3CYP1A2BACE1DRD2
SCHEMBL5522029 0.75 HCAR2 (0.41) HCAR2HCAR3CYP1A2HSD11B1BACE1
SCHEMBL5524159 0.75 TP53 (0.40) HCAR2HCAR3CYP1A2DRD2SIGMAR1
SCHEMBL3108561 0.75 HCAR2 (0.76) HCAR2HCAR3CYP1A2
SCHEMBL5531379 0.72 HCAR2 (0.55) HCAR2HCAR3CYP1A2BACE1CCR2
SCHEMBL5519630 0.70 HCAR2 (0.53) HCAR2HCAR3CYP1A2HSD11B1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803837-B2 4-oxo-4,5-dihydro-furan-2-carboxylic acid derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2010-09-28 US disclosed
US-20070161701-A1 4-oxo-4,5-dihydro-furan-2-carboxylic acid derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. 2007-07-12 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-20070161701-A1 4-oxo-4,5-dihydro-furan-2-carboxylic acid derivatives and methods of treatment of metabolic-related disorders thereof ABAT, G6PD, GLS2 HCAR2 229/4885HCAR3 373/4885CYP1A2 172/4885

“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.