SCHEMBL13428185

SCHEMBL13428185

c1ccc2c(c1)CCc1ccccc1N2c1ccc2c(-c3cccc4ccccc34)c3cc(N4c5ccccc5CCc5ccccc54)ccc3c(-c3ccc(-c4cccc5ccccc45)cc3)c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
POLB P06746 1/20 0.33
ALK Q9UM73 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTT P42858 1/20 0.33
PRKDC P78527 1/20 0.32
PDE6D O43924 1/20 0.32
MCL1 Q07820 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
ENPP3 O14638 1/20 0.32
ENPP1 P22413 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
SCHEMBL13428125 0.98 HDAC8 (0.36) HDAC8HDAC6CA12CA1CA2
SCHEMBL13428147 0.95 PDE6D (0.36) HDAC8HDAC6CA12CA1CA2
SCHEMBL13428173 0.94 PDE6D (0.38) CA12CA1CA2CA9POLB
SCHEMBL13008826 0.94 PDE6D (0.34) POLBCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL13008867 0.94 PDE6D (0.34) POLBCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL13428191 0.93 PDE6D (0.34) HDAC8HDAC6CA12CA1CA2
SCHEMBL13427030 0.93 CA12 (0.33) HDAC8HDAC6CA12CA1CA2
SCHEMBL13009166 0.93 POLB (0.38) POLBCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL13428196 0.92 MAPT (0.36) POLBCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL13009374 0.92 MET (0.37) HDAC8HDAC6CA12CA1CA2

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 HDAC8 3626/4885HDAC6 4054/4885CA12 3043/4885

“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.