SCHEMBL13170672

SCHEMBL13170672

N#Cc1cccc(-c2cccc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.44
PDK2 Q15119 1/20 0.41
ADORA2A P29274 1/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA1 P14867 1/20 0.41
MAOB P27338 1/20 0.40
CHEK1 O14757 1/20 0.40
ALDH1A1 P00352 4/20 0.39
CYP1A2 P05177 4/20 0.39
CLK4 Q9HAZ1 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP2C19 P33261 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CYP3A4 P08684 2/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39

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
SCHEMBL13170748 0.97 PDK2 (0.43) ADRA2CPDK2ADORA2AGABRG2GABRB3
SCHEMBL13170640 0.97 ADRA2C (0.46) ADRA2CPDK2ADORA2AGABRG2GABRB3
SCHEMBL13170694 0.96 ADRA2C (0.45) ADRA2CPDK2ADORA2AGABRG2GABRB3
SCHEMBL13170664 0.95 ADRA2C (0.44) ADRA2CPDK2ADORA2AGABRG2GABRB3
SCHEMBL13170739 0.95 ADRA2C (0.44) ADRA2CPDK2ADORA2AGABRG2GABRB3
SCHEMBL24067767 0.94 PDK2 (0.40) ADRA2CPDK2ADORA2AGABRG2GABRB3
SCHEMBL13170663 0.93 PDK2 (0.43) ADRA2CPDK2ADORA2AGABRG2GABRB3
SCHEMBL13192112 0.93 ADRA2C (0.37) ADRA2CPDK2ADORA2AGABRG2GABRB3
SCHEMBL13170703 0.92 PGR (0.41) ADRA2CPDK2ADORA2AGABRG2GABRB3
SCHEMBL13170751 0.92 ADORA2A (0.37) ADRA2CPDK2ADORA2AGABRG2GABRB3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9512137-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2016-12-06 US disclosed
US-9512137-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2016-12-06 US disclosed
US-20120256172-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-10-11 US disclosed
US-20120256172-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-10-11 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-20120256172-A1 ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLC25A11, SLCO4C1 ADRA2C 3360/4885PDK2 2250/4885ADORA2A 3175/4885

“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.