SCHEMBL5365296

SCHEMBL5365296

CCCC(C)C(=O)OCC1(C)COC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ACACB O00763 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
ATM Q13315 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
CTSK P43235 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
SCHEMBL10155869 0.88 POLB (0.40) EPHX1KMT2AACACBCYP3A4CYP2C19
SCHEMBL19703528 0.83 EPHX1 (0.36) EPHX1ACACBIRAK4
SCHEMBL5375866 0.82 EPHX1 (0.41) EPHX1KMT2AACACBPOLBAPEX1
SCHEMBL25885842 0.79 EPHX1 (0.39) EPHX1ACACBIRAK4
SCHEMBL14035271 0.79 EPHX1 (0.31) EPHX1ACACB
SCHEMBL12987206 0.75 EPHX1 (0.46) EPHX1ALDH1A1ACACBIRAK4
SCHEMBL5365449 0.75 ALDH1A1 (0.40) EPHX1ALDH1A1POLB
SCHEMBL13896533 0.74 EPHX1 (0.41) EPHX1SMN1; SMN2ACACBIRAK4
SCHEMBL3463291 0.74 EPHX1 (0.41) EPHX1ALDH1A1ACACBCYP2C19
SCHEMBL5369277 0.74 PRKCA (0.40) EPHX1ACACBIRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1712551-B1 3-Methyl oxetanemethanol derivatives and their use in perfume compositions INT FLAVORS & FRAGRANCES INC (US) 2012-11-21 EP disclosed
US-20070265180-A1 3-Methyl Oxetanemethanol Derivatives and Their Use in Perfume Compositions INTERNATION FLAVORS & FRAGRANCES INC. 2007-11-15 US disclosed
US-7265231-B2 3-methyl oxetanemethanol derivatives and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2007-09-04 US disclosed
US-20060234882-A1 3-Methyl oxetanemethanol derivatives and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. 2006-10-19 US disclosed
EP-1712551-A1 3-Methyl oxetanemethanol derivatives and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 2006-10-18 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-20070265180-A1 3-Methyl Oxetanemethanol Derivatives and Their Use in Perfume Compositions PNMT, CYP51A1, MSMO1 EPHX1 95/4885SMN1; SMN2 4745/4885KMT2A 569/4885
US-20060234882-A1 3-Methyl oxetanemethanol derivatives and their use in perfume compositions PNMT, CYP51A1, MSMO1 EPHX1 95/4885SMN1; SMN2 4745/4885KMT2A 569/4885

“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.