SCHEMBL15087166

SCHEMBL15087166

C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)\c1ccc(/C=C/[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 2/20 0.44
APP P05067 1/20 0.41
ALDH1A1 P00352 6/20 0.39
MAPT P10636 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 7/20 0.36
KMT2A Q03164 7/20 0.36
MAPK1 P28482 3/20 0.36
ATM Q13315 2/20 0.36
USP2 O75604 1/20 0.36
CTNNB1 P35222 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CTDSP1 Q9GZU7 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
SCHEMBL15087173 0.98 RELA (0.41) RELAAPPALDH1A1MAPTL3MBTL1
SCHEMBL15087112 0.98 RELA (0.41) RELAAPPALDH1A1MAPTL3MBTL1
SCHEMBL15087170 0.95 RELA (0.41) RELAAPPALDH1A1MAPTL3MBTL1
SCHEMBL15087127 0.93 RELA (0.38) RELAAPPALDH1A1MAPTL3MBTL1
SCHEMBL15087169 0.92 RELA (0.50) RELAAPPALDH1A1MAPTL3MBTL1
SCHEMBL15087120 0.90 CA1 (0.40) RELAAPPALDH1A1MAPTL3MBTL1
SCHEMBL15087113 0.88 RELA (0.45) RELAAPPALDH1A1MAPTL3MBTL1
SCHEMBL15087119 0.86 ALDH1A1 (0.41) RELAALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL15087199 0.86 CHEK1 (0.36) RELAAPPALDH1A1MAPTL3MBTL1
SCHEMBL15087137 0.86 CHEK1 (0.36) RELAAPPALDH1A1MAPTL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9401481-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-26 US disclosed
US-9401481-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-26 US disclosed
US-20130168646-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2013-07-04 US disclosed
US-20130168646-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2013-07-04 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-20130168646-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME AOX1, OCIAD1, LEF1 RELA 1725/4885APP 1770/4885ALDH1A1 22/4885

“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.