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SCHEMBL20172772

SCHEMBL20172772

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 2/20 0.42
▸ NR1H3 Q13133 2/20 0.42
▸ TSHR P16473 2/20 0.38
▸ LMNA P02545 2/20 0.37
▸ TYR P14679 1/20 0.37
▸ KIF11 P52732 2/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ RAB9A P51151 4/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ NISCH Q9Y2I1 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.33
▸ SLC2A1 P11166 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL20650057 0.86 NR1H2 (0.41) NR1H2NR1H3TSHRLMNATYR
SCHEMBL21740548 0.86 NR1H2 (0.44) NR1H2NR1H3TSHRLMNATYR
SCHEMBL12688243 0.85 NR1H2 (0.54) NR1H2NR1H3TSHRLMNATYR
SCHEMBL13098205 0.85 TSHR (0.38) NR1H2NR1H3TSHRALDH1A1HSD17B10
SCHEMBL1134090 0.85 TSHR (0.50) TSHRLMNATYRKIF11KDM4C
SCHEMBL24206207 0.82 NR1H2 (0.41) NR1H2NR1H3TSHRLMNATYR
SCHEMBL19735232 0.79 KIF11 (0.58) NR1H2NR1H3TSHRLMNATYR
SCHEMBL24145271 0.79 KIF11 (0.52) TSHRLMNATYRKIF11ALDH1A1
SCHEMBL10034546 0.78 KIF11 (0.57) TSHRLMNATYRKIF11KDM4C
SCHEMBL21020433 0.77 ALDH1A1 (0.48) NR1H2NR1H3TSHRKDM4CALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020159279-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2020-08-06 — — WO disclosed
US-10651411-B2 Compound and organic light emitting device containing same LG CHEM, LTD. (KR) 2020-05-12 — — US disclosed
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 — — 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 (3 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 NR1H2 379/4885NR1H3 322/4885TSHR 3775/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 NR1H2 1574/4885NR1H3 1237/4885TSHR 4256/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 NR1H2 379/4885NR1H3 322/4885TSHR 3775/4885

“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.