SCHEMBL4349604

SCHEMBL4349604

COC(=O)C1(CCOC(C)=O)CCCC1=O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.34
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.32
MAPT P10636 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 2/20 0.30
ALDH1A1 P00352 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL4349003 0.82 ALDH1A1 (0.30) ALDH1A1
SCHEMBL8468255 0.82 CYP2C19 (0.34) CYP2C19CYP3A4TSHRMAPTCYP2C9
SCHEMBL7626939 0.81 CYP2C19 (0.36) CYP2C19CYP3A4TSHRMAPTCYP2C9
SCHEMBL11468671 0.78 LMNA (0.39) CYP2C19CYP3A4TSHRMAPTCYP2C9
SCHEMBL4811675 0.78 MAPT (0.41) CYP2C19CYP3A4TSHRMAPTCYP2C9
SCHEMBL1417675 0.78 CYP4F2 (0.37) CYP2C19CYP3A4TSHRMAPTCYP2C9
SCHEMBL29168788 0.78 SIRT2 (0.40) CYP2C19CYP3A4TSHRMAPTCYP2C9
SCHEMBL31369191 0.78 CYP4F2 (0.36) CYP2C19CYP3A4TSHRMAPTCYP2C9
SCHEMBL14799327 0.78 CYP2C19 (0.33) CYP2C19CYP3A4TSHRMAPTCYP2C9
SCHEMBL28553004 0.77 SIRT2 (0.43) CYP2C19CYP3A4CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524978-B2 2-oxabicyclo[3.3.0]octane compounds, process for producing the same, optical resolver, method of separating diastereomer mixture, and method of optically resolving alcohol ZEON CORPORATION (JP) 2009-04-28 US disclosed
US-7524978-B2 2-oxabicyclo[3.3.0]octane compounds, process for producing the same, optical resolver, method of separating diastereomer mixture, and method of optically resolving alcohol ZEON CORPORATION (JP) 2009-04-28 US disclosed
US-20080287695-A1 Agent For Optical Resolution, Process For Producing Optically Active Substance and 1,5-Substituted Bicyclo [3.3.0] -2-Oxaoctane Compound ZEON CORPORATION (JP) 2008-11-20 US disclosed
US-20080287695-A1 Agent For Optical Resolution, Process For Producing Optically Active Substance and 1,5-Substituted Bicyclo [3.3.0] -2-Oxaoctane Compound ZEON CORPORATION (JP) 2008-11-20 US disclosed
US-20080287695-A1 Agent For Optical Resolution, Process For Producing Optically Active Substance and 1,5-Substituted Bicyclo [3.3.0] -2-Oxaoctane Compound ZEON CORPORATION (JP) 2008-11-20 US disclosed
EP-1719746-A1 OPTICAL RESOLVER, PROCESS FOR PRODUCING OPTICALLY ACTIVE ISOMER, AND 1,5-SUBSTITUTED BICYCLO (3.3.0) -2-OXAOCTANE COMPOUND ZEON CORPORATION (JP) 2006-11-08 EP disclosed
US-20060205960-A1 2-Oxabicyclo[3.3.0]octane compounds, process for producing the same, optical resolver, method of separating diastereomer mixture, and method of optically resolving alcohol ZEON CORPORATION (JP) 2006-09-14 US disclosed
EP-1535917-A1 2-OXABICYCLO 3.3.0 OCTANE COMPOUNDS, PROCESS FOR PRODUCING THE SAME, OPTICAL RESOLVER, METHOD OF SEPARATING DIASTEREOMER MIXTURE, AND METHOD OF OPTICALLY RESOLVING ALCOHOL Zeon Corporation (JP) 2005-06-01 EP 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-20080287695-A1 Agent For Optical Resolution, Process For Producing Optically Active Substance and 1,5-Substituted Bicyclo [3.3.0] -2-Oxaoctane Compound ALDH1A2, OXER1, HCRTR1 CYP2C19 632/4885CYP3A4 638/4885TSHR 3778/4885
US-20060205960-A1 2-Oxabicyclo[3.3.0]octane compounds, process for producing the same, optical resolver, method of separating diastereomer mixture, and method of optically resolving alcohol OXER1, OR10J3, ADH1A CYP2C19 1222/4885CYP3A4 348/4885TSHR 503/4885

“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.