SCHEMBL6345134

SCHEMBL6345134

CC(C)(C)[Si](OC[C@@H]1[C@@H]2C=C(OS(=O)(=O)C(F)(F)F)C[C@@H]21)(c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 2/20 0.34
DRD2 P14416 2/20 0.32
HTR1D P28221 2/20 0.32
DRD3 P35462 2/20 0.32
CYP3A4 P08684 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL6345131 1.00 SMYD2 (0.34) SMYD2DRD2HTR1DDRD3CYP3A4
SCHEMBL5463430 1.00 SMYD2 (0.34) SMYD2DRD2HTR1DDRD3CYP3A4
SCHEMBL5463435 1.00 SMYD2 (0.34) SMYD2DRD2HTR1DDRD3CYP3A4
SCHEMBL5463439 1.00 SMYD2 (0.34) SMYD2DRD2HTR1DDRD3CYP3A4
SCHEMBL17556504 0.85 SMYD2 (0.37) SMYD2DRD2HTR1DDRD3CYP3A4
SCHEMBL6423010 0.80 SMYD2 (0.35) SMYD2DRD2DRD3CYP3A4HTT
SCHEMBL6337193 0.80 SMYD2 (0.35) SMYD2DRD2DRD3CYP3A4HTT
SCHEMBL6423008 0.80 SMYD2 (0.35) SMYD2DRD2DRD3CYP3A4HTT
SCHEMBL6337190 0.80 SMYD2 (0.35) SMYD2DRD2DRD3CYP3A4HTT
SCHEMBL6337191 0.80 SMYD2 (0.35) SMYD2DRD2DRD3CYP3A4HTT

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 SMYD2 4825/4885DRD2 155/4885HTR1D 305/4885
US-20050203144-A1 Bicyclo[3.1.0]hexane containing oxazolidinone antibiotics and derivatives thereof NR0B1, NR4A1, VDR SMYD2 4868/4885DRD2 241/4885HTR1D 725/4885

“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.