SCHEMBL6713722

SCHEMBL6713722

CC(C)OCC(O)COc1cccc2cc(C(=O)Nc3ccc(Br)cc3-c3noc(=O)[nH]3)n(C)c12

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 1/20 0.35
GRIK1 P39086 1/20 0.35
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
ABL1 P00519 1/20 0.33
GRM5 P41594 1/20 0.32
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ROCK1 Q13464 1/20 0.31
HSP90AB1 P08238 1/20 0.31
GRM4 Q14833 1/20 0.31
BACE1 P56817 2/20 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
SCHEMBL6710032 0.92 GRIK1 (0.36) GRIK1MAPTLMNAABL1GRM5
SCHEMBL6710035 0.92 GRIK1 (0.36) GRIK1MAPTLMNAABL1GRM5
SCHEMBL6708862 0.92 GRIK1 (0.36) NR2E1GRIK1MAPTLMNAABL1
SCHEMBL6712474 0.90 NR2E1 (0.34) NR2E1MAPTLMNAABL1SMN1; SMN2
SCHEMBL6710021 0.87 GRIK1 (0.39) GRIK1MAPTLMNAABL1MEN1
SCHEMBL6709918 0.86 GRIK1 (0.38) GRIK1MAPTLMNAGRM5BACE1
SCHEMBL6713995 0.86 NR2E1 (0.36) NR2E1MAPTLMNAGRM4BACE1
SCHEMBL6712425 0.85 TP53 (0.38) GRIK1MAPTLMNAGRM5RAB9A
SCHEMBL6709898 0.85 GRIK1 (0.36) GRIK1MAPTLMNAABL1GRM5
SCHEMBL6708956 0.85 LRRK2 (0.38) GRIK1MAPTLMNABACE1

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-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 NR2E1 2386/4885GRIK1 3885/4885MAPT 4754/4885

“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.