SCHEMBL13866337

SCHEMBL13866337

CC[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(O)C1O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.35
SLC5A2 P31639 3/20 0.33
ADORA1 P30542 2/20 0.32
SLC6A2 P23975 1/20 0.32
CYP3A4 P08684 2/20 0.32
IARS1 P41252 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TYMP P19971 2/20 0.31
MGAM O43451 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
SCHEMBL14176118 1.00 SMYD2 (0.35) SMYD2SLC5A2ADORA1SLC6A2CYP3A4
SCHEMBL5449704 0.94 SMYD2 (0.38) SMYD2ADORA1SLC6A2CYP3A4HTT
SCHEMBL5473045 0.94 SMYD2 (0.38) SMYD2ADORA1SLC6A2CYP3A4HTT
SCHEMBL1842898 0.88 SMYD2 (0.36) SMYD2SLC5A2ADORA1SLC6A2CYP3A4
SCHEMBL16576331 0.88 SMYD2 (0.36) SMYD2SLC5A2ADORA1SLC6A2CYP3A4
SCHEMBL17822565 0.88 SMYD2 (0.36) SMYD2SLC5A2ADORA1SLC6A2CYP3A4
SCHEMBL5983168 0.88 SMYD2 (0.36) SMYD2SLC5A2ADORA1SLC6A2CYP3A4
SCHEMBL1842894 0.88 SMYD2 (0.36) SMYD2SLC5A2ADORA1SLC6A2CYP3A4
SCHEMBL19764252 0.88 SMYD2 (0.36) SMYD2SLC5A2ADORA1SLC6A2CYP3A4
SCHEMBL28637106 0.88 SMYD2 (0.36) SMYD2SLC5A2ADORA1SLC6A2CYP3A4

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-20090137597-A1 Novel quinoxalinone derivatives MSD K.K. (JP) 2009-05-28 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-20090137597-A1 Novel quinoxalinone derivatives NDUFB1, NDUFB6, NDUFB7 SMYD2 2848/4885SLC5A2 208/4885ADORA1 1025/4885

“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.