SCHEMBL13009244

SCHEMBL13009244

C1=Cc2ccccc2N(c2ccc3c(-c4ccc5ccccc5c4)c4cc(N5c6ccccc6C=Cc6ccccc65)ccc4c(-c4ccc5ccccc5c4)c3c2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.40
GSTP1 P09211 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
P2RX4 Q99571 1/20 0.32
ALOX5 P09917 1/20 0.32
IKBKB O14920 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
AKT1 P31749 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 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
SCHEMBL13009207 1.00 HSP90AA1 (0.40) HSP90AA1GSTP1ESR1ESR2P2RX4
SCHEMBL13428342 0.96 HSP90AA1 (0.37) HSP90AA1GSTP1ESR1ESR2P2RX4
SCHEMBL13009417 0.96 HSP90AA1 (0.37) HSP90AA1GSTP1ESR1ESR2P2RX4
SCHEMBL13428427 0.95 HSP90AA1 (0.36) HSP90AA1ESR1ESR2HSD17B1HSD17B2
SCHEMBL13009051 0.95 HSD17B1 (0.37) HSP90AA1ESR1ESR2ALOX5HSD17B1
SCHEMBL13008888 0.91 POLB (0.35) HSP90AA1GSTP1P2RX4HDAC4HDAC2
SCHEMBL13428447 0.91 GPR84 (0.34) HSP90AA1GSTP1P2RX4ALOX5ALDH1A1
SCHEMBL13428429 0.89 PIM1 (0.36) HSP90AA1P2RX4HDAC4HDAC2HDAC8
SCHEMBL13428401 0.88 HSP90AA1 (0.44) HSP90AA1GSTP1ESR1ESR2ALOX5
SCHEMBL13428399 0.86 HSP90AA1 (0.38) HSP90AA1GSTP1ESR1ESR2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2256176-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2010-12-01 EP disclosed
US-20100051106-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-03-04 US disclosed
US-20100051106-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-03-04 US disclosed
US-20090295281-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-12-03 US disclosed
US-20090295281-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-12-03 US disclosed
US-20090261714-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-10-22 US disclosed
US-20090261714-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-10-22 US disclosed
EP-2090637-A1 Organic electroluminescent compounds and light emitting diode using the same Gracel Display Inc. (KR) 2009-08-19 EP disclosed
US-20090189519-A1 Organic electroluminescent compounds and light emitting diode using the same GRACEL DISPLAY INC. (KR) 2009-07-30 US disclosed
US-20090189519-A1 Organic electroluminescent compounds and light emitting diode using the same GRACEL DISPLAY INC. (KR) 2009-07-30 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-20090189519-A1 Organic electroluminescent compounds and light emitting diode using the same OCIAD1, AOX1, OCIAD2 HSP90AA1 4431/4885GSTP1 1019/4885ESR1 165/4885
US-20090261714-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same AOX1, ODC1, LEF1 HSP90AA1 4745/4885GSTP1 865/4885ESR1 598/4885
US-20100051106-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same RPL36, RPL39, RPL36A HSP90AA1 4086/4885GSTP1 3599/4885ESR1 612/4885
US-20090295281-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same AOX1, LEF1, ODC1 HSP90AA1 4684/4885GSTP1 854/4885ESR1 515/4885

“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.