SCHEMBL4516121

SCHEMBL4516121

CC(O)=C(C#N)C(=O)NC(C)c1cc2cccc(OCCCC(=O)O)c2o1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.43
DRD2 P14416 1/20 0.38
DHODH Q02127 6/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
SRD5A1 P18405 2/20 0.35
SRD5A2 P31213 1/20 0.35

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
SCHEMBL4516114 1.00 CNR2 (0.43) CNR2DRD2DHODHMAPTMEN1
SCHEMBL4516119 1.00 CNR2 (0.43) CNR2DRD2DHODHMAPTMEN1
SCHEMBL4516388 0.90 ADORA3 (0.41) CNR2DRD2DHODHMAPTMEN1
SCHEMBL4516375 0.90 ADORA3 (0.41) CNR2DRD2DHODHMAPTMEN1
SCHEMBL4516383 0.90 ADORA3 (0.41) CNR2DRD2DHODHMAPTMEN1
SCHEMBL4491592 0.79 FABP4 (0.37) DHODHTSHR
SCHEMBL4491596 0.79 FABP4 (0.37) DHODHTSHR
SCHEMBL13600940 0.71 DHODH (0.30) DHODHTSHR
SCHEMBL10373724 0.71 CNR2 (0.47) CNR2MEN1KMT2ATSHRADORA3
SCHEMBL4518064 0.69 CNR2 (0.48) CNR2DRD2MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638540-B2 Benzofuran compound and medicinal composition containing the same THE NEW INDUSTRY RESEARCH ORGANIZATION (JP) 2009-12-29 US disclosed
US-20060194851-A1 Benzofuran compound and medicinal composition containing the same NEW INDUSTRY RESEARCH ORGANIZATION, THE (JP) 2006-08-31 US disclosed
EP-1627873-A1 BENZOFURAN COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME The New Industry Research Organization (JP) 2006-02-22 EP 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-20060194851-A1 Benzofuran compound and medicinal composition containing the same LTB4R2, LTC4S, LTB4R CNR2 514/4885DRD2 3693/4885DHODH 789/4885

“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.