SCHEMBL13995096

SCHEMBL13995096

C[Si](C)(C)c1ccc2c(-c3cc4cccc5c(-c6c7ccc([Si](C)(C)C)cc7c(-c7cccc8ccccc78)c7ccc([Si](C)(C)C)cc67)cc6cccc3c6c45)c3cc([Si](C)(C)C)ccc3c(-c3cccc4ccccc34)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 1/20 0.38
▸ MAOA P21397 2/20 0.36
▸ MAOB P27338 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ AHR P35869 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ GPR84 Q9NQS5 1/20 0.35
▸ PSD A5PKW4 1/20 0.34
▸ CES1 P23141 1/20 0.34
▸ ALOX15 P16050 1/20 0.34

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
SCHEMBL4084177 0.91 DHFR (0.43) DHFRALDH1A1HPGDTSHRMAPK1
SCHEMBL4079264 0.91 DHFR (0.43) DHFRALDH1A1HPGDTSHRMAPK1
SCHEMBL13995094 0.90 DHFR (0.42) DHFRALDH1A1HPGDTSHRMAPK1
SCHEMBL13995091 0.90 DHFR (0.42) DHFRALDH1A1HPGDTSHRMAPK1
SCHEMBL18272711 0.87 DHFR (0.40) DHFRMAOAMAOBALDH1A1HPGD
SCHEMBL12023379 0.84 ALDH1A1 (0.42) DHFRALDH1A1HPGDTSHRMAPK1
SCHEMBL16352619 0.84 ALDH1A1 (0.42) DHFRALDH1A1HPGDTSHRMAPK1
SCHEMBL16352625 0.84 ALDH1A1 (0.42) DHFRALDH1A1HPGDTSHRMAPK1
SCHEMBL26761119 0.84 ENPP1 (0.43) DHFRALDH1A1HPGDTSHRMAPK1
SCHEMBL17935584 0.83 ENPP1 (0.45) DHFRALDH1A1HPGDTSHRMAPK1

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-8795847-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-08-05 — — US disclosed
US-8795847-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-08-05 — — US disclosed
US-20080303003-A1 Novel Materials for Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-12-11 — — 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 (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-20080303003-A1 Novel Materials for Organic Electroluminescent Devices ANXA2, ANXA3, ANXA1 DHFR 3036/4885MAOA 1030/4885MAOB 1528/4885

“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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