SCHEMBL13995094

SCHEMBL13995094

C[Si](C)(C)c1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)c3cc([Si](C)(C)C)ccc3c(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 1/20 0.42
▸ ALOX15 P16050 2/20 0.38
▸ PSD A5PKW4 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ENPP3 O14638 1/20 0.37
▸ ENPP1 P22413 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ ATM Q13315 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
SCHEMBL13995091 1.00 DHFR (0.42) DHFRALOX15PSDMEN1KMT2A
SCHEMBL4079264 0.98 DHFR (0.43) DHFRALOX15PSDMEN1KMT2A
SCHEMBL4084177 0.98 DHFR (0.43) DHFRALOX15PSDMEN1KMT2A
SCHEMBL18272711 0.94 DHFR (0.40) DHFRALOX15PSDMEN1KMT2A
SCHEMBL12023379 0.91 ALDH1A1 (0.42) DHFRPSDMEN1KMT2AENPP3
SCHEMBL16352625 0.91 ALDH1A1 (0.42) DHFRPSDMEN1KMT2AENPP3
SCHEMBL26761119 0.91 ENPP1 (0.43) DHFRMEN1KMT2AENPP3ENPP1
SCHEMBL16352619 0.91 ALDH1A1 (0.42) DHFRPSDMEN1KMT2AENPP3
SCHEMBL17935584 0.90 ENPP1 (0.45) DHFRENPP3ENPP1MAPTALDH1A1
SCHEMBL13995096 0.90 DHFR (0.38) DHFRALOX15PSDMEN1KMT2A

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 3036/4885ALOX15 1847/4885PSD 4341/4885

“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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