SCHEMBL21766564

SCHEMBL21766564

c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3ccccc3Nc3cccc4c3oc3ccccc34)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.42
PTGES2 Q9H7Z7 1/20 0.36
FABP3 P05413 1/20 0.35
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
MYC P01106 2/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
CASP3 P42574 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CDC14B O60729 2/20 0.33
CDC14A Q9UNH5 2/20 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
SCHEMBL21766544 0.90 ALOX5 (0.43) ALOX5PTGES2FABP3FABP4FABP5
SCHEMBL4080117 0.88 ALOX5 (0.46) ALOX5PTGES2FABP3FABP4FABP5
SCHEMBL21766578 0.87 ALOX5 (0.37) ALOX5PTGES2FABP3FABP4ALDH1A1
SCHEMBL13681151 0.85 ALOX5 (0.56) ALOX5PTGES2MEN1KMT2ACDC14B
SCHEMBL13681145 0.82 ALOX5 (0.59) ALOX5PTGES2SMN1; SMN2MEN1KMT2A
SCHEMBL14057407 0.79 ALOX5 (0.50) ALOX5PTGES2ALDH1A1SMN1; SMN2HPGD
SCHEMBL16185358 0.79 ALOX5 (0.44) ALOX5PTGES2FABP3FABP4FABP5
SCHEMBL23867431 0.79 ALOX5 (0.46) ALOX5PTGES2ALDH1A1LMNASMN1; SMN2
SCHEMBL4090324 0.78 ALDH1A1 (0.47) ALOX5PTGES2ALDH1A1LMNASMN1; SMN2
SCHEMBL13681150 0.78 ALOX5 (0.52) ALOX5PTGES2ALDH1A1SMN1; SMN2KDM4E

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 ALOX5 295/4885PTGES2 1887/4885FABP3 4768/4885

“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.