SCHEMBL13428333

SCHEMBL13428333

c1ccc2c(c1)Cc1ccccc1N2c1cccc2c(-c3ccc4ccccc4c3)c3c(N4c5ccccc5Cc5ccccc54)cccc3c(-c3ccc4ccccc4c3)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
PDE9A O76083 1/20 0.33
HPGD P15428 1/20 0.33
GSTP1 P09211 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX5 P09917 1/20 0.32
MET P08581 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
IKBKB O14920 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 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
SCHEMBL13428337 0.82 HPGD (0.41) CYP3A4TSHRHPGDESR1ESR2
SCHEMBL13428376 0.82 AKT1 (0.45) HSD17B1HSD17B2PDE9AGSTP1ESR1
SCHEMBL13428343 0.81 BCHE (0.42) CYP3A4HSD17B1HSD17B2PDE9AGSTP1
SCHEMBL13428350 0.81 SMN1; SMN2 (0.36) HSD17B1HSD17B2PDE9AGSTP1ESR1
SCHEMBL13428355 0.78 MAPT (0.38) HSD17B1HSD17B2PDE9AHPGDGSTP1
SCHEMBL13009236 0.78 HSP90AA1 (0.35) PDE9AHPGDGSTP1ESR1ESR2
SCHEMBL13428341 0.78 POLB (0.41) CYP3A4TSHRHPGDCYP1A2SMN1; SMN2
SCHEMBL13009390 0.77 HSP90AA1 (0.36) HSD17B1HSD17B2HPGDGSTP1ESR1
SCHEMBL13008985 0.77 HSP90AA1 (0.36) HSD17B1HSD17B2HPGDGSTP1ESR1
SCHEMBL13428338 0.76 TUBB4A (0.41) MEN1RAB9AKMT2ASMN1; SMN2

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 3 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
EP-2141214-A2 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2010-01-06 EP 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 CYP3A4 2263/4885TSHR 3567/4885HSD17B1 3663/4885

“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.