SCHEMBL6404075

SCHEMBL6404075

CC(CC(=O)OC(C)(C)C)ON1C(=O)c2ccccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
TNF P01375 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
SLC25A5 P05141 1/20 0.37
PTPN1 P18031 1/20 0.37

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
SCHEMBL13765221 0.84 PTPRC (0.40) PTPRCALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL10463296 0.80 MALT1 (0.47) PTPRC
SCHEMBL5317930 0.80 MALT1 (0.47) PTPRC
SCHEMBL13765222 0.80 PTPRC (0.40) PTPRCALDH1A1MAPTTNFKMT2A
SCHEMBL17093931 0.78 LMNA (0.39) PTPRCALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL13764941 0.78 LMNA (0.39) PTPRCALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL29850460 0.78 LMNA (0.39) PTPRCALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL10851634 0.78 LMNA (0.39) PTPRCALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL10463312 0.78 MALT1 (0.51) MEN1KMT2A
SCHEMBL2174284 0.77 ALDH1A1 (0.56) PTPRCALDH1A1MAPTCYP1A2CYP2C9

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-20050203144-A1 Bicyclo[3.1.0]hexane containing oxazolidinone antibiotics and derivatives thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 2005-09-15 US disclosed
EP-1385834-B1 BICYCLO[3,1,0]HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTIC AND DERIVATIVES THEREOF MERCK & CO INC (US) 2005-09-14 EP disclosed
US-6897230-B2 Bicyclo[3/1/0] hexane containing oxazolidinone antibiotics and derivatives thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 2005-05-24 US disclosed
EP-1385834-A1 BICYCLO[3,1,0]HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTIC AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2004-02-04 EP disclosed
US-20030125367-A1 Bicyclo[3,1,0]hexane containing oxazolidinone antibioytics and derivatives thereof KYORIN PHARMACEUTICAL CO., LTD. 2003-07-03 US disclosed
WO-2003027083-A1 BICYCLO[3,1,0]HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTIC AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2003-04-03 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 (2 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-20030125367-A1 Bicyclo[3,1,0]hexane containing oxazolidinone antibioytics and derivatives thereof NR4A1, NR0B1, NR1D1 PTPRC 3266/4885ALDH1A1 708/4885MAPT 4217/4885
US-20050203144-A1 Bicyclo[3.1.0]hexane containing oxazolidinone antibiotics and derivatives thereof NR0B1, NR4A1, VDR PTPRC 3130/4885ALDH1A1 741/4885MAPT 4148/4885

“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.