SCHEMBL5013498

SCHEMBL5013498

CCCCC(CO)(CO)CNC

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TNNC1 P63316 5/20 0.31
S1PR1 P21453 3/20 0.31
S1PR4 O95977 2/20 0.31
S1PR3 Q99500 2/20 0.31
SGPL1 O95470 1/20 0.31
GPR183 P32249 1/20 0.31
CERS2 Q96G23 1/20 0.31
S1PR5 Q9H228 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
S1PR2 O95136 1/20 0.30
FDPS P14324 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
SCHEMBL5065718 0.91 EPHX1 (0.39) EPHX1ALDH1A1TNNC1S1PR1S1PR4
SCHEMBL5012740 0.91 EPHX1 (0.39) EPHX1ALDH1A1TNNC1S1PR1S1PR4
SCHEMBL12968318 0.81 EPHX1 (0.35) EPHX1
SCHEMBL227493 0.80 ALDH1A1 (0.42) ALDH1A1TNNC1S1PR1S1PR4S1PR3
SCHEMBL165249 0.80 ALDH1A1 (0.42) ALDH1A1TNNC1S1PR1S1PR4S1PR3
SCHEMBL2346689 0.80 ALDH1A1 (0.42) ALDH1A1TNNC1S1PR1S1PR4S1PR3
Ammonia Solution, Strong SCHEMBL5707582 0.78 ALDH1A1 (0.40) ALDH1A1TNNC1S1PR1S1PR4S1PR3
SCHEMBL8910979 0.77 ALDH1A1 (0.35) ALDH1A1
SCHEMBL9352789 0.77 ALDH1A1 (0.35) ALDH1A1
SCHEMBL1050069 0.75 ALDH1A1 (0.38) ALDH1A1TNNC1S1PR1S1PR4S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1917268-A2 PREPARATION OF 2,6-DIOXA-7-AZA-BICYCLO(2.2.2)OCTANES, AND THEIR USE IN COATINGS E.I.Du pont de nemours and company (US) 2008-05-07 EP disclosed
WO-2007024835-A2 PREPARATION OF 2,6-DIOXA-7-AZA-BICYCLO[2.2.2]OCTANES, AND THEIR USE IN COATINGS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-03-01 WO disclosed
US-20070049752-A1 Preparation of 2,6-dioxa-7-aza-bicyclo[2.2.2] octanes E. I. DU PONT DE NEMOURS AND COMPANY 2007-03-01 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 (1 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-20070049752-A1 Preparation of 2,6-dioxa-7-aza-bicyclo[2.2.2] octanes OR10J3, DNMT1, TET3 EPHX1 1065/4885ALDH1A1 672/4885TNNC1 3862/4885

“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.