SCHEMBL21766542

SCHEMBL21766542

Nc1ccccc1-c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.64
▸ HSD17B10 Q99714 1/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ DHFR P00374 1/20 0.41
▸ ALOX5AP P20292 1/20 0.41
▸ FEN1 P39748 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.40
▸ DHODH Q02127 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ ADORA2A P29274 1/20 0.38
▸ IDO1 P14902 4/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ALOX15 P16050 1/20 0.36

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
SCHEMBL3293807 0.84 PTGS2 (0.40) ALDH1A1HSD17B10HPGDDCUN1D1
SCHEMBL21263488 0.82 ALDH1A1 (0.57) ALDH1A1HSD17B10L3MBTL1SMN1; SMN2NPC1
SCHEMBL29849782 0.82 PTGS2 (0.43) ALDH1A1HSD17B10NPC1RAB9AHPGD
SCHEMBL6480845 0.82 ALDH1A1 (0.83) ALDH1A1HSD17B10L3MBTL1SMN1; SMN2NPC1
SCHEMBL712916 0.80 ALDH1A1 (0.90) ALDH1A1HSD17B10L3MBTL1SMN1; SMN2NPC1
SCHEMBL28465796 0.79 ALDH1A1 (1.00) ALDH1A1HSD17B10L3MBTL1SMN1; SMN2NPC1
SCHEMBL29407079 0.79 ALDH1A1 (1.00) ALDH1A1HSD17B10L3MBTL1SMN1; SMN2NPC1
SCHEMBL31264295 0.79 ALDH1A1 (0.79) ALDH1A1HSD17B10L3MBTL1SMN1; SMN2NPC1
SCHEMBL25981 0.79 ALDH1A1 (1.00) ALDH1A1HSD17B10L3MBTL1SMN1; SMN2NPC1
SCHEMBL27950997 0.79 ALDH1A1 (1.00) ALDH1A1HSD17B10L3MBTL1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200313099-A1 Compound, Coating Composition Comprising Same, Organic Light-Emitting Element Using Same, and Manufacturing Method Therefor LG CHEM, LTD. (KR) 2020-10-01 — — US disclosed
WO-2020040585-A1 COMPOUND, COATING COMPOSITION COMPRISING SAME, ORGANIC LIGHT-EMITTING ELEMENT USING SAME, AND MANUFACTURING METHOD THEREFOR 주식회사 엘지화학 2020-02-27 — — WO 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-20200313099-A1 Compound, Coating Composition Comprising Same, Organic Light-Emitting Element Using Same, and Manufacturing Method Therefor SEM1, NOTUM, ORMDL3 ALDH1A1 251/4885HSD17B10 2531/4885L3MBTL1 2975/4885

“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.

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