SCHEMBL5522029

SCHEMBL5522029

CC1(c2cccc(C#N)c2)OC=CC1=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 9/20 0.41
HCAR3 P49019 6/20 0.41
BACE1 P56817 2/20 0.40
NSD2 O96028 1/20 0.40
PGR P06401 3/20 0.39
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.36
GSK3A P49840 2/20 0.36
HSD11B1 P28845 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
SCHEMBL3101214 0.78 HCAR2 (0.56) HCAR2HCAR3CYP1A2HSD11B1
SCHEMBL5531839 0.76 HCAR2 (0.57) HCAR2HCAR3CYP1A2
SCHEMBL3107917 0.76 HCAR2 (0.72) HCAR2HCAR3CYP1A2
SCHEMBL11414250 0.76 HCAR2 (0.53) HCAR2HCAR3CYP1A2
SCHEMBL3100362 0.75 HCAR2 (0.43) HCAR2HCAR3BACE1PGRCYP1A2
SCHEMBL5516439 0.74 HCAR2 (0.59) HCAR2HCAR3BACE1CYP1A2
SCHEMBL5515242 0.74 HCAR2 (0.59) HCAR2BACE1PGR
SCHEMBL5524159 0.73 TP53 (0.40) HCAR2HCAR3CYP1A2
SCHEMBL3105600 0.72 HCAR2 (0.57) HCAR2HCAR3CYP1A2
SCHEMBL5520638 0.70 HCAR2 (0.40) HCAR2HCAR3CYP1A2

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 HCAR2 229/4885HCAR3 373/4885BACE1 3635/4885

“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.