SCHEMBL9971945

SCHEMBL9971945

C(=Cc1ccc(N(c2ccc(C=Cc3ccccc3)cc2)c2c3ccccc3c(N(c3ccc(C=Cc4ccccc4)cc3)c3ccc(C=Cc4ccccc4)cc3)c3cc4ccccc4cc23)cc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 3/20 0.50
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
USP2 O75604 1/20 0.40
CTNNB1 P35222 1/20 0.40
ATM Q13315 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
APP P05067 2/20 0.40
S100A4 P26447 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
TRPA1 O75762 1/20 0.38
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL9971944 0.98 RELA (0.49) RELAMAPTL3MBTL1MEN1ALDH1A1
SCHEMBL9971800 0.95 APP (0.45) RELAMAPTL3MBTL1MEN1ALDH1A1
SCHEMBL9971930 0.95 RELA (0.52) RELAMAPTL3MBTL1MEN1ALDH1A1
SCHEMBL9971947 0.93 RELA (0.46) RELAMAPTL3MBTL1MEN1ALDH1A1
SCHEMBL12442848 0.90 RELA (0.44) RELAMAPTL3MBTL1MEN1ALDH1A1
SCHEMBL12442841 0.89 APP (0.45) RELAMAPTL3MBTL1MEN1ALDH1A1
SCHEMBL9971875 0.88 RELA (0.53) RELAMAPTL3MBTL1MEN1ALDH1A1
SCHEMBL10128935 0.88 RELA (0.53) RELAMAPTL3MBTL1MEN1ALDH1A1
SCHEMBL3417058 0.88 RELA (0.53) RELAMAPTL3MBTL1MEN1ALDH1A1
SCHEMBL6756869 0.85 RELA (0.41) RELAMAPTALDH1A1APPS100A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120153815-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-21 US disclosed
US-20120153815-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-21 US disclosed
US-20110175521-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2011-07-21 US disclosed
US-20110175521-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2011-07-21 US disclosed
US-20100160687-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-06-24 US disclosed
US-20100160687-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-06-24 US disclosed
US-20070142671-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD (JP) 2007-06-21 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 (4 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-20110175521-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 RELA 2003/4885MAPT 3667/4885L3MBTL1 539/4885
US-20100160687-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 RELA 2003/4885MAPT 3667/4885L3MBTL1 539/4885
US-20120153815-A1 ORGANIC ELECTROLUMINESCENCE DEVICE ARL1, RIF1, EML4 RELA 2681/4885MAPT 2504/4885L3MBTL1 1098/4885
US-20070142671-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 RELA 2003/4885MAPT 3667/4885L3MBTL1 539/4885

“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.