SCHEMBL9971785

SCHEMBL9971785

C(=Cc1ccc(N(c2ccc(C=Cc3ccccc3)cc2)c2ccc(-c3cc4c5ccccc5c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4c4ccccc34)cc2)cc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
MAPK1 P28482 1/20 0.48
CTNNB1 P35222 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
APP P05067 3/20 0.45
RELA Q04206 3/20 0.44
CTDSP1 Q9GZU7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL4545236 0.88 ALDH1A1 (0.45) ALDH1A1MAPTTDP1L3MBTL1MEN1
SCHEMBL1753730 0.88 ALDH1A1 (0.45) ALDH1A1MAPTTDP1L3MBTL1MEN1
SCHEMBL9971761 0.88 ALDH1A1 (0.45) ALDH1A1MAPTTDP1L3MBTL1MEN1
SCHEMBL9971857 0.86 RELA (0.50) ALDH1A1MAPTTDP1L3MBTL1MEN1
SCHEMBL9971911 0.86 APP (0.49) ALDH1A1MAPTTDP1L3MBTL1MEN1
SCHEMBL14353852 0.85 APP (0.46) ALDH1A1MAPTTDP1L3MBTL1MEN1
SCHEMBL14353849 0.85 APP (0.46) ALDH1A1MAPTTDP1L3MBTL1MEN1
SCHEMBL9971913 0.85 RELA (0.48) ALDH1A1MAPTTDP1L3MBTL1MEN1
SCHEMBL11962187 0.85 RELA (0.48) ALDH1A1MAPTTDP1L3MBTL1MEN1
SCHEMBL9971780 0.85 RELA (0.48) ALDH1A1MAPTTDP1L3MBTL1MEN1

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 6 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-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 ALDH1A1 2388/4885MAPT 3667/4885TDP1 2598/4885
US-20100160687-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 ALDH1A1 2388/4885MAPT 3667/4885TDP1 2598/4885
US-20120153815-A1 ORGANIC ELECTROLUMINESCENCE DEVICE ARL1, RIF1, EML4 ALDH1A1 699/4885MAPT 2504/4885TDP1 2733/4885
US-20070142671-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 ALDH1A1 2388/4885MAPT 3667/4885TDP1 2598/4885

“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.