SCHEMBL16622855

SCHEMBL16622855

O=C(NC1CCCCC1)c1cc(C(=O)NC2CCCCC2)c2ccccc2c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.60
MAPT P10636 2/20 0.60
KMT2A Q03164 2/20 0.60
GAA P10253 1/20 0.60
RAB9A P51151 7/20 0.57
RXFP1 Q9HBX9 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 3/20 0.55
LMNA P02545 3/20 0.55
KDM4E B2RXH2 2/20 0.55
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.55
MAOB P27338 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
EPHX1 P07099 1/20 0.51

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
SCHEMBL16622846 0.87 NPC1 (0.55) NPC1MAPTKMT2AGAARAB9A
SCHEMBL6121152 0.85 NPC1 (0.57) NPC1MAPTKMT2ARAB9AL3MBTL1
SCHEMBL30073645 0.82 NPC1 (0.65) NPC1MAPTKMT2AGAARAB9A
SCHEMBL3456146 0.82 NPC1 (0.65) NPC1MAPTKMT2AGAARAB9A
SCHEMBL3954720 0.82 NPC1 (0.65) NPC1MAPTKMT2AGAARAB9A
SCHEMBL2751444 0.81 DRD4 (0.64) NPC1MAPTKMT2AGAARAB9A
SCHEMBL29818792 0.80 NPC1 (0.62) NPC1MAPTRAB9AL3MBTL1HPGD
SCHEMBL7928067 0.80 NPC1 (0.62) NPC1MAPTRAB9AL3MBTL1HPGD
SCHEMBL2753551 0.78 DRD4 (0.64) NPC1MAPTRAB9AL3MBTL1EPHX1
SCHEMBL435720 0.77 KMT2A (0.69) NPC1MAPTKMT2AGAARAB9A

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-9882136-B2 Organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2018-01-30 US disclosed
EP-2858458-B1 ORGANIC ELECTROLUMINESCENT ELEMENT HODOGAYA CHEMICAL CO LTD (JP) 2017-05-31 EP disclosed
US-20150287920-A1 ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2015-10-08 US disclosed
EP-2858458-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Hodogaya Chemical Co., Ltd. (JP) 2015-04-08 EP 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-20150287920-A1 ORGANIC ELECTROLUMINESCENT DEVICE CDH1, STRA6, SLC39A7 NPC1 1060/4885MAPT 490/4885KMT2A 3759/4885

“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.