SCHEMBL8924696

SCHEMBL8924696

Cc1ccc(N2CCCN(CC(=O)OC(C)(C)C)C2=O)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.46
SCN9A Q15858 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
ALDH1A1 P00352 3/20 0.38
TP53 P04637 3/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
THRB P10828 1/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 2/20 0.36
PLA2G10 O15496 1/20 0.36
PLA2G5 P39877 1/20 0.36
CASP3 P42574 1/20 0.35
PER2 O15055 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL8914807 0.91 SCN9A (0.39) EP300SCN9ASCN10AALDH1A1KDM4E
SCHEMBL14496751 0.87 EP300 (0.45) EP300ALDH1A1TP53KDM4EGAA
SCHEMBL3588482 0.75 SCN9A (0.53) SCN9ASCN10AALDH1A1KDM4EPOLB
SCHEMBL13200405 0.73 SCN9A (0.49) SCN9ASCN10AALDH1A1KDM4EPLA2G10
SCHEMBL8916277 0.73 PLA2G10 (0.47) SCN9ASCN10AALDH1A1KDM4EGAA
SCHEMBL13200416 0.72 SCN9A (0.46) EP300SCN9ASCN10AALDH1A1KDM4E
SCHEMBL6282329 0.72 PLA2G10 (0.47) SCN9ASCN10AALDH1A1KDM4ETHRB
SCHEMBL13217676 0.70 SCN9A (0.43) SCN9ASCN10AALDH1A1KDM4EPLA2G10
SCHEMBL13200403 0.70 SCN9A (0.43) EP300SCN9ASCN10AALDH1A1KDM4E
SCHEMBL7403651 0.70 SCN9A (0.41) SCN9ASCN10APER2

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 6 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

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 EP300 536/4885SCN9A 2306/4885SCN10A 2325/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 EP300 2099/4885SCN9A 2728/4885SCN10A 2698/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 EP300 514/4885SCN9A 2566/4885SCN10A 2234/4885

“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.