SCHEMBL21740548

SCHEMBL21740548

CC(C)(C)c1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc([Si](C)(C)C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.44
NR1H3 Q13133 3/20 0.44
TSHR P16473 2/20 0.39
LMNA P02545 2/20 0.38
TYR P14679 1/20 0.38
KIF11 P52732 3/20 0.38
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
HTR1D P28221 2/20 0.34
ADRA1A P35348 2/20 0.34
NISCH Q9Y2I1 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33

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
SCHEMBL13636801 0.89 CYP1A2 (0.42) NR1H2NR1H3LMNANPC1RAB9A
SCHEMBL13636797 0.89 CYP1A2 (0.42) NR1H2NR1H3LMNANPC1RAB9A
SCHEMBL13304341 0.87 NR1H2 (0.35) NR1H2NR1H3TSHRKIF11NPC1
SCHEMBL12688243 0.87 NR1H2 (0.54) NR1H2NR1H3TSHRLMNATYR
SCHEMBL20172772 0.86 NR1H2 (0.42) NR1H2NR1H3TSHRLMNATYR
SCHEMBL13511243 0.84 TP53 (0.36) NR1H2NR1H3TSHRLMNATYR
SCHEMBL6705565 0.84 TSHR (0.52) TSHRLMNATYRKIF11NPC1
SCHEMBL14163841 0.84 TSHR (0.52) TSHRLMNATYRKIF11NPC1
SCHEMBL13136660 0.84 TSHR (0.52) TSHRLMNATYRKIF11NPC1
SCHEMBL24754405 0.84 NR1H2 (0.39) NR1H2NR1H3TSHRKDM4EALDH1A1

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-20200058885-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME LG CHEM, LTD. (KR) 2020-02-20 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-20200058885-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME TMEM109, CRY1, TRPA1 NR1H2 660/4885NR1H3 528/4885TSHR 4828/4885

“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.