SCHEMBL13995124

SCHEMBL13995124

C[Si](C)(C)c1ccc(-c2ccccc2-c2c3ccccc3c(-c3c4ccccc4c(-c4ccccc4-c4ccc([Si](C)(C)C)cc4)c4ccccc34)c3ccccc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 1/20 0.36
▸ ENPP1 P22413 5/20 0.35
▸ ENPP3 O14638 1/20 0.35
▸ PTGS2 P35354 3/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ABL1 P00519 2/20 0.32
▸ ABCB1 P08183 2/20 0.32
▸ BCR P11274 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ GPR84 Q9NQS5 1/20 0.31
▸ GPR55 Q9Y2T6 1/20 0.31
▸ ACACA Q13085 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ NTRK1 P04629 1/20 0.30

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
SCHEMBL13995120 0.96 PTGS2 (0.38) PTAFRENPP1ENPP3PTGS2DHODH
SCHEMBL15453339 0.85 PTAFR (0.42) PTAFRENPP1ENPP3PTGS2KDM4E
SCHEMBL13995118 0.84 GPR84 (0.36) ENPP1PTGS2DHODHKDM4EMEN1
SCHEMBL17739686 0.84 ACHE (0.38) PTAFRPTGS2KDM4EL3MBTL1MAPT
SCHEMBL14445695 0.81 ACHE (0.39) PTAFRPTGS2KDM4EL3MBTL1MAPT
SCHEMBL13162126 0.81 HDAC4 (0.42) KDM4EMEN1ALDH1A1KMT2AHSD17B10
SCHEMBL13995119 0.80 GPR84 (0.38) ENPP1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL16263483 0.80 ACHE (0.38) ENPP1ENPP3PTGS2KDM4EL3MBTL1
SCHEMBL17739687 0.79 ACHE (0.38) PTAFRPTGS2KDM4EL3MBTL1MAPT
SCHEMBL13162150 0.78 ACHE (0.45) PTGS2KDM4EL3MBTL1LMNAMAPT

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-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 PTAFR 4338/4885ENPP1 771/4885ENPP3 329/4885

“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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