SCHEMBL13428128

SCHEMBL13428128

c1ccc2c(c1)CCc1ccccc1N2c1ccc2c(-c3ccccc3-c3cccc4ccccc34)c3cc(N4c5ccccc5CCc5ccccc54)ccc3c(-c3ccccc3-c3cccc4ccccc34)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
CYP1A2 P05177 3/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTT P42858 1/20 0.35
HTR7 P34969 5/20 0.34
HTR1A P08908 5/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
SOS1 Q07889 1/20 0.31
SCN9A Q15858 1/20 0.30
GPR84 Q9NQS5 1/20 0.30
CHRM2 P08172 1/20 0.30
ADRA2A P08913 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD1 P21728 1/20 0.30
SLC6A2 P23975 1/20 0.30

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
SCHEMBL13009190 0.99 POLB (0.35) POLBCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL13009166 0.95 POLB (0.38) POLBCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL13428141 0.94 PDE6D (0.33) POLBCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL13008786 0.92 POLB (0.36) POLBCYP1A2HTR7HTR1AHPGD
SCHEMBL13008231 0.91 POLB (0.35) POLBHTR7HTR1AHPGDSOS1
SCHEMBL13009377 0.91 PIM1 (0.35) POLBCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL13008826 0.89 PDE6D (0.34) POLBCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL13008867 0.89 PDE6D (0.34) POLBCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL13009181 0.89 POLB (0.34) POLBCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL13428191 0.88 PDE6D (0.34) POLBCYP1A2CYP2C9CYP2C19KDM4E

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 POLB 913/4885CYP1A2 2199/4885CYP2C9 1228/4885

“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.