SCHEMBL22482055

SCHEMBL22482055

O=CCc1cccc(CC=O)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.43
PGK2 P07205 1/20 0.43
KCNH2 Q12809 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HRH4 Q9H3N8 1/20 0.37
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35
GRIN3A Q8TCU5 2/20 0.35
CXCR4 P61073 3/20 0.33
LMNA P02545 1/20 0.32
NOS1 P29475 1/20 0.31
NOS2 P35228 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
SCHEMBL20730061 0.89 PGK1 (0.41) PGK1PGK2KCNH2NPSR1HRH4
SCHEMBL20400755 0.89 CCR1 (0.40) PGK1PGK2KCNH2NPSR1HRH4
SCHEMBL4287573 0.84 MBOAT4 (0.33) PGK1PGK2
SCHEMBL6745 0.84 PARP1 (0.38) PGK1PGK2
SCHEMBL3363182 0.84 CYP3A4 (0.42) PGK1PGK2
SCHEMBL247492 0.84 SMN1; SMN2 (0.44) NPSR1NOS2
SCHEMBL5781072 0.84 NPSR1 (0.46) PGK1PGK2KCNH2NPSR1CXCR4
Bromide SCHEMBL15057420 0.83 BACE1 (0.41) NOS1NOS2
SCHEMBL14351231 0.81 KCNH2 (0.36) PGK1PGK2KCNH2NPSR1NOS1
SCHEMBL21357394 0.80 NPSR1 (0.32) PGK1PGK2KCNH2NPSR1

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-20200308196-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES THE UNIVERSITY OF SOUTHERN CALIFORNIA 2020-10-01 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-20200308196-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES L1CAM, SOD1, EML4 PGK1 4085/4885PGK2 3847/4885KCNH2 72/4885

“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.