SCHEMBL13596143

SCHEMBL13596143

CC(C)(C)[Si](OCC1(CO)CCCCC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
CYP3A4 P08684 1/20 0.34
HTT P42858 1/20 0.34
CNR2 P34972 2/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
ABL1 P00519 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
GAA P10253 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
NUDT1 P36639 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL4130523 0.99 SMYD2 (0.36) SMYD2SMN1; SMN2CYP3A4HTTCNR2
SCHEMBL19689304 0.96 SMYD2 (0.36) SMYD2SMN1; SMN2CYP3A4HTTNR1H2
SCHEMBL4130620 0.94 SMYD2 (0.33) SMYD2SMN1; SMN2CYP3A4HTTABL1
SCHEMBL2912786 0.93 SMYD2 (0.38) SMYD2SMN1; SMN2CYP3A4HTTNR1H2
SCHEMBL4420189 0.92 SMYD2 (0.34) SMYD2SMN1; SMN2CYP3A4HTT
SCHEMBL4120876 0.89 SMYD2 (0.33) SMYD2SMN1; SMN2CYP3A4HTTABL1
SCHEMBL4119688 0.86 SMYD2 (0.34) SMYD2SMN1; SMN2CYP3A4HTTABL1
SCHEMBL4132970 0.84 SMYD2 (0.36) SMYD2SMN1; SMN2CYP3A4HTTNR1H2
SCHEMBL15016366 0.83 SMYD2 (0.38) SMYD2SMN1; SMN2CYP3A4HTTNR1H2
SCHEMBL4127225 0.82 SMYD2 (0.35) SMYD2SMN1; SMN2CYP3A4HTTABL1

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
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 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-20090318690-A1 Benzisoxazole Compound NR1I2, NR1I3, NR0B1 SMYD2 3091/4885SMN1; SMN2 3331/4885CYP3A4 157/4885

“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.