SCHEMBL13428342

SCHEMBL13428342

C1=Cc2ccccc2N(c2ccc3c(-c4ccc5ccccc5c4)c4ccc(N5c6ccccc6C=Cc6ccccc65)cc4c(-c4ccccc4)c3c2)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.37
ESR1 P03372 7/20 0.33
ESR2 Q92731 7/20 0.33
HSD17B1 P14061 2/20 0.32
HSD17B2 P37059 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2B6 P20813 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
AKT1 P31749 1/20 0.32
PDE6D O43924 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
KMT2A Q03164 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
SCHEMBL13009417 1.00 HSP90AA1 (0.37) HSP90AA1ESR1ESR2HSD17B1HSD17B2
SCHEMBL13428427 0.99 HSP90AA1 (0.36) HSP90AA1ESR1ESR2HSD17B1HSD17B2
SCHEMBL13009244 0.96 HSP90AA1 (0.40) HSP90AA1ESR1ESR2HSD17B1HSD17B2
SCHEMBL13009207 0.96 HSP90AA1 (0.40) HSP90AA1ESR1ESR2HSD17B1HSD17B2
SCHEMBL13009051 0.94 HSD17B1 (0.37) HSP90AA1ESR1ESR2HSD17B1HSD17B2
SCHEMBL12928336 0.89 FAAH (0.38) HSP90AA1ESR1ESR2PDE6DALDH1A1
SCHEMBL13009212 0.89 P2RX4 (0.34) HSP90AA1ALDH1A1P2RX4
SCHEMBL12951906 0.89 P2RX4 (0.34) HSP90AA1ALDH1A1P2RX4
SCHEMBL13008888 0.87 POLB (0.35) HSP90AA1CYP1A1CYP1B1AKT1PDE6D
SCHEMBL13428447 0.87 GPR84 (0.34) HSP90AA1CYP1A2CYP2D6CYP2C9CYP2C19

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 4086/4885ESR1 612/4885ESR2 171/4885

“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.