SCHEMBL13428399

SCHEMBL13428399

c1ccc(N2c3ccccc3N(c3ccc4c(-c5ccc6ccccc6c5)c5cc(N6c7ccccc7N(c7ccccc7)c7ccccc76)ccc5c(-c5ccc6ccccc6c5)c4c3)c3ccccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.38
PDE6D O43924 1/20 0.35
GSTP1 P09211 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
ALOX5 P09917 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
IKBKB O14920 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
CYP1A2 P05177 2/20 0.32
AKT1 P31749 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL13428401 0.94 HSP90AA1 (0.44) HSP90AA1GSTP1ESR1ESR2ALOX5
SCHEMBL13427570 0.89 AKT1 (0.42) HSP90AA1PDE6DGSTP1ESR1ESR2
SCHEMBL12175930 0.89 ESR1 (0.39) HSP90AA1PDE6DGSTP1ESR1ESR2
SCHEMBL13008378 0.89 AKT1 (0.44) HSP90AA1GSTP1ESR1ESR2ALOX5
SCHEMBL13428409 0.88 HSP90AA1 (0.44) HSP90AA1PDE6DESR1ESR2CYP1A2
SCHEMBL13427601 0.88 AKT1 (0.41) HSP90AA1PDE6DESR1ESR2ALOX5
SCHEMBL13427586 0.88 AKT1 (0.41) HSP90AA1PDE6DESR1ESR2IKBKB
SCHEMBL13428396 0.87 POLB (0.38) HSP90AA1GSTP1ESR1ESR2ALOX5
SCHEMBL13009207 0.86 HSP90AA1 (0.40) HSP90AA1GSTP1ESR1ESR2ALOX5
SCHEMBL13009244 0.86 HSP90AA1 (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20100051106-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same RPL36, RPL39, RPL36A HSP90AA1 4086/4885PDE6D 3559/4885GSTP1 3599/4885

“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.