SCHEMBL4119858

SCHEMBL4119858

COCOc1cc(OCC2CC2)c(CO)cc1Br

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
RIPK1 Q13546 1/20 0.34
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
SCN9A Q15858 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PDCD1 Q15116 3/20 0.32
CD274 Q9NZQ7 3/20 0.32
SLC6A4 P31645 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 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
SCHEMBL985007 0.81 KCNH2 (0.36) CNR2KDM4EALDH1A1RIPK1SCN9A
SCHEMBL4121380 0.78 CNR2 (0.40) CNR2KDM4EALDH1A1PIM1PDE4B
SCHEMBL8713156 0.74 PDE4A (0.33) ALDH1A1PDE4BPDE4APDE4CPDE4D
SCHEMBL4112434 0.74 RIPK1 (0.37) RIPK1PDCD1CD274
SCHEMBL4379280 0.73 MAPT (0.36) KDM4EALDH1A1
SCHEMBL4112431 0.72 RIPK1 (0.36) RIPK1PDCD1CD274
SCHEMBL22231440 0.72 PGR (0.36)
SCHEMBL1391181 0.71 ACACB (0.39) PDE4BPDE4APDE4CPDE4D
SCHEMBL7797903 0.71 TSHR (0.43) ALDH1A1
SCHEMBL16469963 0.71 PDE4A (0.52) KDM4EALDH1A1PDE4BPDE4APDE4C

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-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
EP-2017275-A1 BENZISOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-01-21 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-20090318690-A1 Benzisoxazole Compound NR1I2, NR1I3, NR0B1 CNR2 92/4885KDM4E 3136/4885ALDH1A1 858/4885

“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.