SCHEMBL17799263

SCHEMBL17799263

CC(C)OCc1ccc(O)c2ncccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.71
NPC1 O15118 5/20 0.71
HTT P42858 4/20 0.71
RAB9A P51151 4/20 0.71
ALOX12 P18054 1/20 0.71
NPSR1 Q6W5P4 1/20 0.71
L3MBTL1 Q9Y468 7/20 0.71
MAPT P10636 3/20 0.71
BRD4 O60885 2/20 0.64
MITF O75030 1/20 0.64
LMNA P02545 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
GAA P10253 1/20 0.62
TP53 P04637 2/20 0.59
ALDH1A1 P00352 1/20 0.59
POLB P06746 1/20 0.59
TSHR P16473 1/20 0.59
MAPK1 P28482 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
PAX8 Q06710 1/20 0.55

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
SCHEMBL4468901 0.83 KDM4E (1.00) KDM4ENPC1HTTRAB9AALOX12
SCHEMBL28616697 0.83 KDM4E (1.00) KDM4ENPC1HTTRAB9AALOX12
Hydrochloric Acid SCHEMBL28624698 0.82 KDM4E (0.97) KDM4ENPC1HTTRAB9AALOX12
SCHEMBL30345672 0.81 KDM4E (0.79) KDM4ENPC1HTTRAB9AALOX12
SCHEMBL14768490 0.81 KDM4E (0.79) KDM4ENPC1HTTRAB9AALOX12
SCHEMBL13415788 0.80 KDM4E (0.72) KDM4ENPC1HTTRAB9AALOX12
SCHEMBL28976997 0.79 KDM4E (0.77) KDM4ENPC1HTTRAB9AALOX12
SCHEMBL28862876 0.79 KDM4E (0.77) KDM4ENPC1HTTRAB9AALOX12
SCHEMBL14114855 0.79 KDM4E (0.71) KDM4ENPC1HTTRAB9AALOX12
SCHEMBL9138739 0.79 KDM4E (0.56) KDM4ENPC1HTTRAB9AALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200087648-A1 PARKIN LIGASE ACTIVATION METHODS AND COMPOSITIONS NYSNOBIO IRELAND DAC (IE) 2020-03-19 US disclosed
US-10155936-B2 Parkin ligase activation methods and compositions An2H Discovery Limited (IE) 2018-12-18 US disclosed
US-20160160205-A1 PARKIN LIGASE ACTIVATION METHODS AND COMPOSITIONS An2H Discovery Limited (IE) 2016-06-09 US disclosed
US-20160160205-A1 PARKIN LIGASE ACTIVATION METHODS AND COMPOSITIONS An2H Discovery Limited (IE) 2016-06-09 US disclosed
US-20160160205-A1 PARKIN LIGASE ACTIVATION METHODS AND COMPOSITIONS An2H Discovery Limited (IE) 2016-06-09 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 (3 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-10155936-B2 Parkin ligase activation methods and compositions PINK1, XIAP, STUB1 KDM4E 2210/4885NPC1 1493/4885HTT 226/4885
US-20200087648-A1 PARKIN LIGASE ACTIVATION METHODS AND COMPOSITIONS PINK1, XIAP, STUB1 KDM4E 2210/4885NPC1 1493/4885HTT 226/4885
US-20160160205-A1 PARKIN LIGASE ACTIVATION METHODS AND COMPOSITIONS PINK1, XIAP, STUB1 KDM4E 2210/4885NPC1 1493/4885HTT 226/4885

“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.