SCHEMBL9971791

SCHEMBL9971791

C(=Cc1ccc(N(c2ccc(C=Cc3ccccc3)cc2)c2ccc(-c3c4ccccc4c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4cc5ccccc5cc34)cc2)cc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 3/20 0.45
APP P05067 2/20 0.42
MAPT P10636 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
MAPK1 P28482 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 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
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
KDM4E B2RXH2 3/20 0.36
POLB P06746 2/20 0.36
RAB9A P51151 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 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
SCHEMBL9971792 0.98 RELA (0.46) RELAAPPMAPTL3MBTL1ALDH1A1
SCHEMBL9971779 0.91 RELA (0.48) RELAAPPMAPTL3MBTL1ALDH1A1
SCHEMBL9971908 0.91 RELA (0.48) RELAAPPMAPTL3MBTL1ALDH1A1
SCHEMBL14018418 0.91 RELA (0.48) RELAAPPMAPTL3MBTL1ALDH1A1
SCHEMBL12571732 0.91 RELA (0.46) RELAAPPMAPTL3MBTL1ALDH1A1
SCHEMBL12571820 0.90 RELA (0.45) RELAAPPMAPTL3MBTL1ALDH1A1
SCHEMBL10128936 0.89 RELA (0.47) RELAAPPMAPTL3MBTL1ALDH1A1
SCHEMBL9971807 0.89 ESR1 (0.47) APPMAPTL3MBTL1ALDH1A1MEN1
SCHEMBL9971856 0.89 RELA (0.50) RELAAPPMAPTL3MBTL1ALDH1A1
SCHEMBL16657296 0.89 RELA (0.46) RELAAPPMAPTL3MBTL1ALDH1A1

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 2003/4885APP 2796/4885MAPT 3667/4885
US-20100160687-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 RELA 2003/4885APP 2796/4885MAPT 3667/4885
US-20120153815-A1 ORGANIC ELECTROLUMINESCENCE DEVICE ARL1, RIF1, EML4 RELA 2681/4885APP 2479/4885MAPT 2504/4885
US-20070142671-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 RELA 2003/4885APP 2796/4885MAPT 3667/4885

“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.