SCHEMBL9971780

SCHEMBL9971780

C(=Cc1ccc(N(c2ccc(C=Cc3ccccc3)cc2)c2ccc(-c3cccc4c(-c5ccc(N(c6ccc(C=Cc7ccccc7)cc6)c6ccc(C=Cc7ccccc7)cc6)cc5)cccc34)cc2)cc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 3/20 0.48
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
CTNNB1 P35222 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
APP P05067 3/20 0.44
NFE2L2 Q16236 3/20 0.39
CYP19A1 P11511 2/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
CHEK1 O14757 1/20 0.36
TRPA1 O75762 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
SCHEMBL9971857 0.95 RELA (0.50) RELAMEN1USP2ALDH1A1MAPT
SCHEMBL9971913 0.93 RELA (0.48) RELAMEN1USP2ALDH1A1MAPT
SCHEMBL9971911 0.91 APP (0.49) RELAMEN1USP2ALDH1A1MAPT
SCHEMBL10128925 0.90 HDAC8 (0.44) RELAMEN1USP2ALDH1A1MAPT
SCHEMBL12889538 0.90 HDAC8 (0.44) RELAMEN1USP2ALDH1A1MAPT
SCHEMBL12128440 0.89 CA12 (0.44) RELAMEN1USP2ALDH1A1MAPT
SCHEMBL12914357 0.86 CA12 (0.42) RELAMEN1USP2ALDH1A1MAPT
SCHEMBL9971858 0.85 APP (0.43) RELAMEN1USP2ALDH1A1MAPT
SCHEMBL12889541 0.85 RELA (0.47) RELAMEN1USP2ALDH1A1MAPT
SCHEMBL16657312 0.85 MEN1 (0.41) RELAMEN1USP2ALDH1A1MAPT

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 2003/4885MEN1 1808/4885USP2 4105/4885
US-20100160687-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 RELA 2003/4885MEN1 1808/4885USP2 4105/4885
US-20120153815-A1 ORGANIC ELECTROLUMINESCENCE DEVICE ARL1, RIF1, EML4 RELA 2681/4885MEN1 2365/4885USP2 3937/4885
US-20070142671-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 RELA 2003/4885MEN1 1808/4885USP2 4105/4885

“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.