SCHEMBL20908320

SCHEMBL20908320

c1ccc(N2c3cccc4c3B3c5c2cccc5N(c2ccccc2)c2cc(-c5ccc(-c6cc7c8c(c6)N(c6ccccc6)c6cccc9c6B8c6c(cccc6N7c6ccccc6)N9c6ccccc6)cc5)cc(c23)N4c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.36
MGLL Q99685 4/20 0.36
FAAH O00519 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSP90AA1 P07900 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
GAA P10253 2/20 0.33
CES2 O00748 1/20 0.33
BCHE P06276 1/20 0.33
CES1 P23141 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 1/20 0.33
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
COMT P21964 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 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
SCHEMBL19938224 0.96 MGLL (0.40) PDE6DMGLLFAAHALDH1A1HSP90AA1
SCHEMBL20908332 0.96 ALDH1A1 (0.35) PDE6DMGLLFAAHALDH1A1HSP90AA1
SCHEMBL20908288 0.91 MGLL (0.39) PDE6DMGLLFAAHALDH1A1HSP90AA1
SCHEMBL19938212 0.91 MGLL (0.39) PDE6DMGLLFAAHALDH1A1HSP90AA1
SCHEMBL22195403 0.90 MGLL (0.36) PDE6DMGLLFAAHALDH1A1HSP90AA1
SCHEMBL25106118 0.88 PDE6D (0.43) PDE6DMGLLFAAHALDH1A1HSP90AA1
SCHEMBL19938208 0.87 L3MBTL1 (0.49) PDE6DMGLLFAAHALDH1A1HTT
SCHEMBL19938300 0.87 MGLL (0.47) PDE6DMGLLFAAHALDH1A1HSP90AA1
SCHEMBL19938227 0.87 ALDH1A1 (0.41) PDE6DMGLLFAAHALDH1A1HSP90AA1
SCHEMBL19938242 0.86 FAAH (0.33) PDE6DMGLLFAAHALDH1A1HSP90AA1

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-20210036227-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2021-02-04 US disclosed
US-20190115537-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENCE ELEMENT, DISPLAY APPARATUS AND ILLUMINATION APPARATUS Konica Minolta, Inc. (JP) 2019-04-18 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-20190115537-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENCE ELEMENT, DISPLAY APPARATUS AND ILLUMINATION APPARATUS C1S, L1CAM, CD99 PDE6D 3324/4885MGLL 4511/4885FAAH 3784/4885

“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.