SCHEMBL21263488

SCHEMBL21263488

Nc1ccccc1-c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.57
▸ HSD17B10 Q99714 2/20 0.57
▸ ADORA3 P0DMS8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ DHFR P00374 1/20 0.41
▸ NPC1 O15118 5/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALOX5AP P20292 1/20 0.41
▸ FEN1 P39748 1/20 0.41
▸ SMARCA2 P51531 2/20 0.37
▸ SMARCA4 P51532 2/20 0.37
▸ PBRM1 Q86U86 2/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ MAOA P21397 1/20 0.36
▸ MAP4K4 O95819 2/20 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
SCHEMBL21766542 0.82 ALDH1A1 (0.64) ALDH1A1HSD17B10ADORA3L3MBTL1DHFR
SCHEMBL24604420 0.80 MAOA (0.42) ALDH1A1L3MBTL1NPC1RAB9AHPGD
SCHEMBL5162068 0.80 ALDH1A1 (0.71) ALDH1A1HSD17B10ADORA3L3MBTL1DHFR
SCHEMBL13295276 0.80 MAOA (0.42) ALDH1A1L3MBTL1NPC1RAB9AHPGD
SCHEMBL23729358 0.79 MIF (0.32) ALDH1A1HSD17B10NPC1RAB9AHPGD
SCHEMBL13295277 0.79 RAB9A (0.33) ALDH1A1HSD17B10L3MBTL1NPC1RAB9A
SCHEMBL16616587 0.78 ALDH1A1 (0.70) ALDH1A1HSD17B10ADORA3L3MBTL1DHFR
SCHEMBL29777433 0.78 ALDH1A1 (0.70) ALDH1A1HSD17B10ADORA3L3MBTL1DHFR
SCHEMBL30076523 0.78 ALDH1A1 (0.57) ALDH1A1HSD17B10L3MBTL1NPC1RAB9A
SCHEMBL26417149 0.78 ALDH1A1 (0.57) ALDH1A1HSD17B10L3MBTL1NPC1RAB9A

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
EP-3750895-A1 COMPOUND, COATING COMPOSITION COMPRISING SAME, ORGANIC LIGHT EMITTING ELEMENT USING SAME, AND MANUFACTURING METHOD THEREFOR LG Chem, Ltd. (KR) 2020-12-16 — — EP disclosed
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
US-20200270279-A1 Compound, Coating Composition Comprising the Same, Organic Light Emitting Device Using the Same and Method for Manufacturing the Same LG CHEM, LTD. (KR) 2020-08-27 — — 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
WO-2019156397-A1 COMPOUND, COATING COMPOSITION COMPRISING SAME, ORGANIC LIGHT EMITTING ELEMENT USING SAME, AND MANUFACTURING METHOD THEREFOR 주식회사 엘지화학 2019-08-15 — — 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 (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-20200313099-A1 Compound, Coating Composition Comprising Same, Organic Light-Emitting Element Using Same, and Manufacturing Method Therefor SEM1, NOTUM, ORMDL3 ALDH1A1 251/4885HSD17B10 2531/4885ADORA3 4513/4885
US-20200270279-A1 Compound, Coating Composition Comprising the Same, Organic Light Emitting Device Using the Same and Method for Manufacturing the Same SEM1, GPS1, SETDB1 ALDH1A1 99/4885HSD17B10 2422/4885ADORA3 4369/4885

“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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