SCHEMBL916557

SCHEMBL916557

Cc1cc(Nc2ccc([Si](C)(C)C)cc2)cc(C)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.47
GAA P10253 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
G6PD P11413 1/20 0.47
ALDH1A1 P00352 4/20 0.39
ALOX15 P16050 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
THRB P10828 2/20 0.39
RECQL P46063 2/20 0.39
CYP3A4 P08684 1/20 0.39
HIF1A Q16665 1/20 0.39
SOS1 Q07889 1/20 0.39
RAPGEF4 Q8WZA2 2/20 0.36
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.33
MAPT P10636 2/20 0.33
HSD17B10 Q99714 2/20 0.33
NPSR1 Q6W5P4 2/20 0.32
MAPK1 P28482 2/20 0.32

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
SCHEMBL916424 0.86 MAPT (0.46) L3MBTL1GAAMEN1KMT2AG6PD
SCHEMBL2270398 0.84 ALDH1A1 (0.43) L3MBTL1GAAMEN1KMT2AG6PD
SCHEMBL916183 0.80 HPGD (0.56) L3MBTL1GAAMEN1KMT2AG6PD
SCHEMBL17680055 0.78 GAA (0.72) L3MBTL1GAAMEN1KMT2AG6PD
SCHEMBL1155340 0.76 MEN1 (0.48) L3MBTL1GAAMEN1KMT2AG6PD
SCHEMBL762138 0.76 ALDH1A1 (0.62) L3MBTL1GAAMEN1KMT2AALDH1A1
SCHEMBL916738 0.75 NPC1 (0.41) L3MBTL1GAAMEN1KMT2AALDH1A1
SCHEMBL20636767 0.74 KCNH3 (0.43) GAAMEN1KMT2AALDH1A1TDP1
SCHEMBL25763105 0.74 SCN5A (0.35) MEN1KMT2AALDH1A1TDP1CYP3A4
SCHEMBL19087503 0.73 ALDH1A1 (0.56) ALDH1A1CYP3A4RAPGEF4LMNARAB9A

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-8647754-B2 Aromatic diamine derivative and organic electroluminescent device using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-02-11 US disclosed
US-20110006289-A1 AROMATIC DIAMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2011-01-13 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-20110006289-A1 AROMATIC DIAMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME AOC1, DDC, CCNL2 L3MBTL1 71/4885GAA 3829/4885MEN1 1230/4885

“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.