SCHEMBL20172779

SCHEMBL20172779

CN(c1ccc(F)cc1)c1ccc([Si](C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.41
CES1 P23141 1/20 0.38
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
TAAR1 Q96RJ0 1/20 0.33
ACHE P22303 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
MPO P05164 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
AOC3 Q16853 1/20 0.31
SCN9A Q15858 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TRPA1 O75762 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 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
SCHEMBL13098205 0.89 TSHR (0.38) APPNR1H2NR1H3
SCHEMBL13338132 0.83 APP (0.52) APPCES1TAAR1ACHEESR1
SCHEMBL8932050 0.83 NR1H2 (0.46) CES1NR1H2NR1H3ACHEIDO1
SCHEMBL21020433 0.80 ALDH1A1 (0.48) CES1NR1H2NR1H3ACHENPC1
SCHEMBL12626669 0.80 NR3C2 (0.44) ESR1ESR2NPC1RAB9A
Cyclopropane SCHEMBL7686540 0.77 APP (0.46) APPCES1TAAR1ACHEMPO
SCHEMBL5998627 0.76 CHRM5 (0.52) APPCES1TAAR1NPC1RAB9A
SCHEMBL20172772 0.75 NR1H2 (0.42) NR1H2NR1H3NPC1RAB9A
SCHEMBL13241216 0.75 KDM4E (0.46) NPC1
SCHEMBL307380 0.75 CES1 (0.49) APPCES1SCN9ANPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10651411-B2 Compound and organic light emitting device containing same LG CHEM, LTD. (KR) 2020-05-12 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 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 (2 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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 APP 963/4885CES1 2849/4885NR1H2 379/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 APP 963/4885CES1 2849/4885NR1H2 379/4885

“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.