SCHEMBL12959986

SCHEMBL12959986

c1ccc(-c2cc(-c3cc4ccccc4c4ccccc34)cc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
PRKDC P78527 2/20 0.33
PARP14 Q460N5 1/20 0.33
CYP11B1 P15538 1/20 0.33
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
F9 P00740 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
MPI P34949 1/20 0.32
KMT2A Q03164 1/20 0.32
GPR84 Q9NQS5 2/20 0.32
LIMK1 P53667 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL12959985 0.98 ALOX5 (0.46) ALOX5PRKDCPARP14CYP11B1TNKS
SCHEMBL22078235 0.97 ALOX5 (0.45) ALOX5PRKDCPARP14CYP11B1TNKS
SCHEMBL23313352 0.95 ALOX5 (0.41) ALOX5PRKDCPARP14CYP11B1
SCHEMBL23313809 0.95 ALOX5 (0.41) ALOX5PRKDCPARP14CYP11B1F9
SCHEMBL23822216 0.94 ALOX5 (0.49) ALOX5PRKDCPARP14CYP11B1TNKS
SCHEMBL23313381 0.94 ALOX5 (0.41) ALOX5PRKDCPARP14CYP11B1TNKS
SCHEMBL23822214 0.92 ALOX5 (0.45) ALOX5PRKDCPARP14CYP11B1TNKS
SCHEMBL23822213 0.92 ALOX5 (0.49) ALOX5PRKDCPARP14CYP11B1TNKS
SCHEMBL12959969 0.91 ALOX5 (0.46) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL12959958 0.91 ALOX5 (0.52) ALOX5PRKDCPARP14TNKSTNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278926-B2 Aromatic amine derivative, and organic electroluminescent element comprising same IDEMITSU KOSAN CO., LTD. (JP) 2016-03-08 US disclosed
US-9278926-B2 Aromatic amine derivative, and organic electroluminescent element comprising same IDEMITSU KOSAN CO., LTD. (JP) 2016-03-08 US disclosed
US-20120248426-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-10-04 US disclosed
US-20120248426-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-10-04 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 (1 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-20120248426-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME AOC2, AHR, AOC3 ALOX5 694/4885PRKDC 4780/4885PARP14 3167/4885

“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.