SCHEMBL20908332

SCHEMBL20908332

c1ccc(N2c3cccc4c3B3c5c2cccc5N(c2ccccc2)c2cc(-c5cc6c7c(c5)N(c5ccccc5)c5cccc8c5B7c5c(cccc5N6c5ccccc5)N8c5ccccc5)cc(c23)N4c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
CES2 O00748 1/20 0.35
BCHE P06276 1/20 0.35
CES1 P23141 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MGLL Q99685 3/20 0.34
FAAH O00519 1/20 0.34
HSP90AA1 P07900 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
HPGD P15428 1/20 0.34
PDE6D O43924 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
GNG2 P59768 1/20 0.30
GNB1 P62873 1/20 0.30
MEN1 O00255 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
SCHEMBL20908320 0.96 PDE6D (0.36) ALDH1A1GAACES2BCHECES1
SCHEMBL19938224 0.96 MGLL (0.40) ALDH1A1GAACES2BCHECES1
SCHEMBL20908288 0.95 MGLL (0.39) ALDH1A1GAACES2BCHECES1
SCHEMBL19938212 0.90 MGLL (0.39) ALDH1A1GAACES2BCHECES1
SCHEMBL22195403 0.90 MGLL (0.36) ALDH1A1GAACES2BCHECES1
SCHEMBL19938227 0.90 ALDH1A1 (0.41) ALDH1A1GAACES2BCHECES1
SCHEMBL20908335 0.88 ALDH1A1 (0.39) ALDH1A1GAACES2BCHECES1
SCHEMBL19938242 0.86 FAAH (0.33) ALDH1A1MGLLFAAHHSP90AA1PKM
SCHEMBL19938969 0.86 ALDH1A1 (0.33) ALDH1A1GAACES2BCHECES1
SCHEMBL20908330 0.86

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 ALDH1A1 699/4885GAA 3225/4885CES2 1734/4885

“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.