SCHEMBL8916277

SCHEMBL8916277

CN1CCCN(CC(=O)OC(C)(C)C)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 2/20 0.47
PLA2G5 P39877 2/20 0.47
SCN9A Q15858 2/20 0.38
SCN10A Q9Y5Y9 2/20 0.38
PER2 O15055 2/20 0.36
CTSK P43235 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CRY2 Q49AN0 1/20 0.34
OPRM1 P35372 2/20 0.32
OPRL1 P41146 2/20 0.32
KMT2A Q03164 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 2/20 0.31
PLA2G7 Q13093 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31

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
SCHEMBL3591635 0.90 PLA2G10 (0.49) PLA2G10PLA2G5SCN9ASCN10APER2
SCHEMBL6282329 0.83 PLA2G10 (0.47) PLA2G10PLA2G5SCN9ASCN10ACTSK
SCHEMBL1364804 0.78 TSHR (0.54) PLA2G10PLA2G5PER2KDM4EALDH1A1
SCHEMBL6283587 0.78 LMNA (0.48) PLA2G10PLA2G5SCN9ASCN10AKDM4E
SCHEMBL908747 0.76 LMNA (0.45) PER2KDM4EALDH1A1CRY2KMT2A
SCHEMBL11983647 0.76 PER2 (0.41) SCN9APER2CRY2KMT2A
SCHEMBL6334079 0.76 TSHR (0.49) PLA2G10PLA2G5PER2KDM4EALDH1A1
SCHEMBL11042645 0.75 TSHR (0.47) PLA2G10PLA2G5PER2KDM4EALDH1A1
SCHEMBL28766052 0.74 TP53 (0.39) PLA2G10PLA2G5SCN9ASCN10APER2
SCHEMBL8924696 0.73 EP300 (0.46) PLA2G10PLA2G5SCN9ASCN10APER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 PLA2G10 4087/4885PLA2G5 2585/4885SCN9A 2306/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 PLA2G10 2751/4885PLA2G5 2134/4885SCN9A 2728/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 PLA2G10 3530/4885PLA2G5 2432/4885SCN9A 2566/4885

“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.