SCHEMBL13748816

SCHEMBL13748816

CN1C[C@H](O)C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.39
CYP3A4 P08684 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 1/20 0.34
RIPK1 Q13546 1/20 0.34
MGAM O43451 2/20 0.32

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
SCHEMBL13748115 0.86 SMYD2 (0.39) SMYD2CYP3A4SMN1; SMN2HTT
SCHEMBL25364479 0.84 RIPK1 (0.42) SMYD2CYP3A4SMN1; SMN2HTTRIPK1
SCHEMBL18587707 0.84 RIPK1 (0.42) SMYD2CYP3A4SMN1; SMN2HTTRIPK1
SCHEMBL25365732 0.84 RIPK1 (0.42) SMYD2CYP3A4SMN1; SMN2HTTRIPK1
SCHEMBL2146189 0.84 RIPK1 (0.42) SMYD2CYP3A4SMN1; SMN2HTTRIPK1
SCHEMBL7328073 0.83 MAPT (0.40) SMYD2MGAM
SCHEMBL10417697 0.83 MAPT (0.40) SMYD2MGAM
SCHEMBL5152621 0.80 CYP1A2 (0.41) SMYD2CYP3A4RIPK1
SCHEMBL5150301 0.80 CYP1A2 (0.41) SMYD2CYP3A4RIPK1
SCHEMBL28396275 0.80 CYP1A2 (0.41) SMYD2CYP3A4RIPK1

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-20090203132-A1 PYRROLIDINYL GROUPS FOR ATTACHING CONJUGATES TO OLIGOMERIC COMPOUNDS ISIS PHARMACEUTICALS, INC. 2009-08-13 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-20090203132-A1 PYRROLIDINYL GROUPS FOR ATTACHING CONJUGATES TO OLIGOMERIC COMPOUNDS PHAX, RIOX2, RNMT SMYD2 2771/4885CYP3A4 4498/4885SMN1; SMN2 2989/4885

“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.