SCHEMBL20908335

SCHEMBL20908335

c1ccc(N2c3cccc4c3B3c5c2cccc5N(c2ccc(N5c6cccc7c6B6c8c(cccc8N(c8ccccc8)c8cccc5c86)N7c5ccccc5)cc2)c2cccc(c23)N4c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
GAA P10253 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CES2 O00748 1/20 0.39
BCHE P06276 1/20 0.39
CES1 P23141 1/20 0.39
HPGD P15428 1/20 0.38
MGLL Q99685 2/20 0.38
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
PDE6D O43924 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
SCN2A Q99250 1/20 0.33
FAAH O00519 1/20 0.33

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
SCHEMBL19938227 0.98 ALDH1A1 (0.41) ALDH1A1GAANPSR1CES2BCHE
SCHEMBL24714285 0.93 ALDH1A1 (0.38) ALDH1A1GAANPSR1CES2BCHE
SCHEMBL22819585 0.90 ALDH1A1 (0.44) ALDH1A1GAANPSR1CES2BCHE
SCHEMBL19938300 0.90 MGLL (0.47) ALDH1A1GAANPSR1CES2BCHE
SCHEMBL22195418 0.90 ALDH1A1 (0.40) ALDH1A1GAANPSR1CES2BCHE
SCHEMBL24714174 0.89 MGLL (0.43) ALDH1A1GAANPSR1CES2BCHE
SCHEMBL23760507 0.88 ALDH1A1 (0.43) ALDH1A1GAANPSR1CES2BCHE
SCHEMBL20908332 0.88 ALDH1A1 (0.35) ALDH1A1GAANPSR1CES2BCHE
SCHEMBL22765901 0.86 ALDH1A1 (0.36) ALDH1A1GAANPSR1CES2BCHE
SCHEMBL19938240 0.86 ALDH1A1 (0.32) ALDH1A1GAANPSR1CES2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3225/4885NPSR1 241/4885

“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.