SCHEMBL1102644

SCHEMBL1102644

c1ccc(-c2c3ccccc3c(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3cnccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
HSP90AA1 P07900 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 3/20 0.48
MDM2 Q00987 1/20 0.47
GRIA1 P42261 1/20 0.46
CACNG8 Q8WXS5 1/20 0.46
CACNG2 Q9Y698 1/20 0.46
AOC3 Q16853 4/20 0.44
KCNH2 Q12809 1/20 0.44
HTT P42858 2/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
RPS6KA5 O75582 1/20 0.42
PTGS2 P35354 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL1102650 0.99 ESR1 (0.51) ESR1ESR2MAPTMEN1HSP90AA1
SCHEMBL1102663 0.91 MAPT (0.45) ESR1ESR2MAPTMEN1HSP90AA1
SCHEMBL12887078 0.91 MEN1 (0.45) ESR1ESR2MAPTMEN1HSP90AA1
SCHEMBL12886762 0.91 MAPT (0.45) ESR1ESR2MAPTMEN1HSP90AA1
SCHEMBL24811913 0.90 ESR1 (0.53) ESR1ESR2MAPTMEN1HSP90AA1
SCHEMBL1102818 0.90 MAPT (0.44) ESR1ESR2MAPTMEN1HSP90AA1
SCHEMBL25668052 0.90 MEN1 (0.58) ESR1ESR2MAPTMEN1HSP90AA1
SCHEMBL29555357 0.90 ESR1 (0.64) ESR1ESR2MAPTMEN1HSP90AA1
SCHEMBL338233 0.90 ESR1 (0.64) ESR1ESR2MAPTMEN1HSP90AA1
SCHEMBL24812199 0.90 ESR1 (0.64) ESR1ESR2MAPTMEN1HSP90AA1

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-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 US disclosed
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 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-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same ORMDL3, OCIAD2, OCIAD1 ESR1 1038/4885ESR2 576/4885MAPT 3162/4885

“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.