SCHEMBL5459617

SCHEMBL5459617

CC(C)(C)[Si](OCC1C2CC(=O)CC12)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.42
CYP3A4 P08684 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TOP2A P11388 1/20 0.33
BACE1 P56817 1/20 0.32
GRM5 P41594 1/20 0.31
GRM1 Q13255 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
SCHEMBL5459611 1.00 SMYD2 (0.42) SMYD2CYP3A4HTTSMN1; SMN2TOP2A
SCHEMBL6711402 1.00 SMYD2 (0.42) SMYD2CYP3A4HTTSMN1; SMN2TOP2A
SCHEMBL9309459 0.87 SMYD2 (0.42) SMYD2CYP3A4HTTSMN1; SMN2TOP2A
SCHEMBL16569499 0.87 SMYD2 (0.42) SMYD2CYP3A4HTTSMN1; SMN2TOP2A
SCHEMBL9618986 0.84 SMYD2 (0.36) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL9331695 0.84 SMYD2 (0.36) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL5463835 0.81 SMYD2 (0.36) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL16746031 0.81 SMYD2 (0.36) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL16746036 0.81 SMYD2 (0.36) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL15121485 0.81 SMYD2 (0.41) SMYD2CYP3A4HTTSMN1; SMN2TOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070293493-A1 OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-12-20 US disclosed
EP-1646630-A1 OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2006-04-19 EP disclosed
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
WO-2005005422-A1 OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2005-01-20 WO 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 (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-20070293493-A1 OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF OXA1L, RORC, IL17A SMYD2 4549/4885CYP3A4 154/4885HTT 3861/4885
US-20030125367-A1 Bicyclo[3,1,0]hexane containing oxazolidinone antibioytics and derivatives thereof NR4A1, NR0B1, NR1D1 SMYD2 4825/4885CYP3A4 170/4885HTT 1824/4885
US-20050203144-A1 Bicyclo[3.1.0]hexane containing oxazolidinone antibiotics and derivatives thereof NR0B1, NR4A1, VDR SMYD2 4868/4885CYP3A4 157/4885HTT 1733/4885

“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.