SCHEMBL16622846

SCHEMBL16622846

O=C(NC1CCCCC1)c1cc(C(=O)NC2CCCCC2)c2ccc3ccccc3c2c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.55
MAPT P10636 2/20 0.55
RAB9A P51151 7/20 0.55
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 2/20 0.55
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
GAA P10253 1/20 0.55
KMT2A Q03164 1/20 0.55
NR1I2 O75469 1/20 0.55
AHR P35869 1/20 0.55
RXFP1 Q9HBX9 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 2/20 0.50
MAOB P27338 2/20 0.50
EPHX1 P07099 1/20 0.48
TP53 P04637 1/20 0.47

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
SCHEMBL16622855 0.87 NPC1 (0.60) NPC1MAPTRAB9AKDM4EALDH1A1
SCHEMBL30073645 0.78 NPC1 (0.65) NPC1MAPTRAB9AKDM4EALDH1A1
SCHEMBL3456146 0.78 NPC1 (0.65) NPC1MAPTRAB9AKDM4EALDH1A1
SCHEMBL3954720 0.78 NPC1 (0.65) NPC1MAPTRAB9AKDM4EALDH1A1
SCHEMBL67733 0.78 NPC1 (0.58) NPC1MAPTRAB9AKDM4EALDH1A1
SCHEMBL29481000 0.78 NPC1 (0.58) NPC1MAPTRAB9AKDM4EALDH1A1
SCHEMBL2751444 0.77 DRD4 (0.64) NPC1MAPTRAB9AKDM4EALDH1A1
SCHEMBL29818792 0.76 NPC1 (0.62) NPC1MAPTRAB9AHPGDSMN1; SMN2
SCHEMBL7928067 0.76 NPC1 (0.62) NPC1MAPTRAB9AHPGDSMN1; SMN2
SCHEMBL6121152 0.75 NPC1 (0.57) NPC1MAPTRAB9AKDM4EALDH1A1

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 490/4885RAB9A 732/4885

“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.