SCHEMBL9971797

SCHEMBL9971797

c1ccc(N(c2ccccc2)c2ccc(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c5)c5ccccc45)c3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ESR1 P03372 1/20 0.38
APP P05067 1/20 0.37
MGLL Q99685 1/20 0.37
MAOA P21397 1/20 0.36
KMO O15229 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
GP6 Q9HCN6 1/20 0.36
ALOX5 P09917 1/20 0.35

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
SCHEMBL10063916 0.98 ALDH1A1 (0.39) ALDH1A1L3MBTL1CYP3A4CYP2C9KDM4E
SCHEMBL9971979 0.98 ALDH1A1 (0.39) ALDH1A1L3MBTL1CYP3A4CYP2C9KDM4E
SCHEMBL10063893 0.98 ALDH1A1 (0.39) ALDH1A1L3MBTL1CYP3A4CYP2C9KDM4E
SCHEMBL19564402 0.96 ACHE (0.38) ALDH1A1L3MBTL1CYP3A4CYP2C9KDM4E
SCHEMBL5948269 0.96 ALDH1A1 (0.41) ALDH1A1L3MBTL1CYP3A4CYP2C9KDM4E
SCHEMBL5948043 0.95 CYP1A2 (0.37) ALDH1A1L3MBTL1CYP3A4CYP2C9KDM4E
SCHEMBL9963814 0.95 CYP1A2 (0.37) ALDH1A1L3MBTL1CYP3A4CYP2C9KDM4E
SCHEMBL5948010 0.95 ALDH1A1 (0.39) ALDH1A1L3MBTL1CYP3A4CYP2C9KDM4E
SCHEMBL5948032 0.94 L3MBTL1 (0.42) ALDH1A1L3MBTL1CYP3A4CYP2C9KDM4E
SCHEMBL5947882 0.93 MGLL (0.37) ALDH1A1L3MBTL1CYP3A4CYP2C9KDM4E

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 8 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
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 2388/4885L3MBTL1 539/4885CYP3A4 629/4885
US-20100160687-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 ALDH1A1 2388/4885L3MBTL1 539/4885CYP3A4 629/4885
US-20120153815-A1 ORGANIC ELECTROLUMINESCENCE DEVICE ARL1, RIF1, EML4 ALDH1A1 699/4885L3MBTL1 1098/4885CYP3A4 1323/4885
US-20070142671-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 ALDH1A1 2388/4885L3MBTL1 539/4885CYP3A4 629/4885

“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.