SCHEMBL4176529

SCHEMBL4176529

NC(=O)CCCOC(c1ccccc1)(c1ccccc1)c1cccc(O)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.45
HRH4 Q9H3N8 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
KCNH2 Q12809 1/20 0.36
TK2 O00142 1/20 0.36
PARP1 P09874 1/20 0.36
SLC6A1 P30531 1/20 0.36
TK1 P04183 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 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
SCHEMBL3948846 0.78 KIF11 (0.41) KIF11HRH4CYP2C9TK2TK1
SCHEMBL8870562 0.77 KIF11 (0.53) KIF11HRH4TK2SLC6A1TK1
SCHEMBL8869561 0.72 KIF11 (0.52) KIF11HRH4CYP3A4CYP2C9KCNH2
SCHEMBL4151974 0.72 HDAC6 (0.56) CYP3A4KCNH2
SCHEMBL31697431 0.71 ALDH1A1 (0.50) KIF11CYP3A4
SCHEMBL1884344 0.71 KIF11 (0.50) KIF11CYP3A4CYP2C9KCNH2TK2
SCHEMBL8870247 0.71 KIF11 (0.50) KIF11CYP3A4CYP2C9KCNH2TK2
SCHEMBL8447265 0.71 KIF11 (0.50) KIF11CYP3A4CYP2C9KCNH2TK2
SCHEMBL1884316 0.71 KIF11 (0.50) KIF11CYP3A4CYP2C9KCNH2TK2
SCHEMBL1880174 0.71 KIF11 (0.50) KIF11CYP3A4CYP2C9KCNH2TK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833977-B1 ENANTIOCONVERGENT CHEMOENZYMATIC SYNTHESIS OF (R)- GAMMA-AMINO-BETA-HYDROXYBUTYRIC ACID ((R) - GABOB) COUNCIL SCIENT IND RES (IN) 2009-04-29 EP disclosed
US-7390825-B1 Process for the preparation of oxazolidinones and method of use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2008-06-24 US disclosed
US-20080146458-A1 PROCESS FOR THE PREPARATION OF OXAZOLIDINONES AND METHOD OF USE THEREOF BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2008-06-19 US disclosed
US-7374926-B2 Enantioconvergent chemoenzymatic synthesis of (R)-γ-amino-β-hydroxybutyric acid ((R)-GABOB) COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2008-05-20 US disclosed
US-20070265451-A1 Process for the preparation of oxazolidinones and method of use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2007-11-15 US disclosed
EP-1833977-A1 ENANTIOCONVERGENT CHEMOENZYMATIC SYNTHESIS OF (R)- GAMMA-AMINO-BETA-HYDROXYBUTYRIC ACID ((R) -GABOB) COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2007-09-19 EP disclosed
EP-1578723-A4 PROCESS FOR THE PREPARATION OF OXAZOLIDINONES AND METHOD OF USE THEREOF UNIV MICHIGAN STATE (US) 2006-11-02 EP disclosed
US-20060141606-A1 Enantioconvergent chemoenzymatic synthesis of (R)-gamma-amino-beta-hydroxybutyric acid ((R)-GABOB) COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-06-29 US disclosed
WO-2006064513-A1 ENANTIOCONVERGENT CHEMOENZYMATIC SYNTHESIS OF (R)- GAMMA-AMINO-BETA-HYDROXYBUTYRIC ACID ((R) -GABOB) COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2006-06-22 WO disclosed
EP-1324989-B1 5-TRITYLOXYMETHYL-2-OXAZOLIDINONE AND PROCESS FOR THE PREPARATION THEREOF UNIV MICHIGAN STATE (US) 2006-06-14 EP disclosed
EP-1578723-A3 PROCESS FOR THE PREPARATION OF OXAZOLIDINONES AND METHOD OF USE THEREOF MICHIGAN STATE UNIVERSITY (US) 2005-10-20 EP disclosed
EP-1578723-A2 PROCESS FOR THE PREPARATION OF OXAZOLIDINONES AND METHOD OF USE THEREOF MICHIGAN STATE UNIVERSITY (US) 2005-09-28 EP disclosed
EP-1324989-A4 5-TRITYLOXYMETHYL-OXAZOLIDINONES AND PROCESS FOR THE PREPARATION THEREOF UNIV MICHIGAN STATE (US) 2005-07-20 EP disclosed
WO-2003106413-A2 PROCESS FOR THE PREPARATION OF OXAZOLIDINONES AND METHOD OF USE THEREOF MICHIGAN STATE UNIVERSITY (US) 2003-12-24 WO disclosed
EP-1324989-A1 5-TRITYLOXYMETHYL-OXAZOLIDINONES AND PROCESS FOR THE PREPARATION THEREOF MICHIGAN STATE UNIVERSITY (US) 2003-07-09 EP disclosed
WO-2002024670-A1 5-TRITYLOXYMETHYL-OXAZOLIDINONES AND PROCESS FOR THE PREPARATION THEREOF MICHIGAN STATE UNIVERSITY (US) 2002-03-28 WO disclosed
US-6288239-B1 STIRRING A TRITYL ETHER OF 3,4-DIHYDROXYBUTYRAMIDE WITH ALKALINE OR ALKALI HYDROXIDE TO PRODUCE 5-TRITYLOXYMETHYL OXAZOLINE AND REMOVAL OF OXAZOLIDINONE DERIVATIVE BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY 2001-09-11 US disclosed
US-6288239-B1 STIRRING A TRITYL ETHER OF 3,4-DIHYDROXYBUTYRAMIDE WITH ALKALINE OR ALKALI HYDROXIDE TO PRODUCE 5-TRITYLOXYMETHYL OXAZOLINE AND REMOVAL OF OXAZOLIDINONE DERIVATIVE BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY 2001-09-11 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 (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-20070265451-A1 Process for the preparation of oxazolidinones and method of use thereof OXA1L, OTC, ODC1 KIF11 3787/4885HRH4 3459/4885CYP3A4 137/4885
US-20080146458-A1 PROCESS FOR THE PREPARATION OF OXAZOLIDINONES AND METHOD OF USE THEREOF OXA1L, OGFOD1, CYP51A1 KIF11 2957/4885HRH4 2065/4885CYP3A4 12/4885

“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.