SCHEMBL5196895

SCHEMBL5196895

CC(C)(C)C(=O)[C@H]1O[C@@H]1C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.35
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
EPHX1 P07099 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
SCHEMBL5608576 0.77 GAA (0.36) MEN1GAAKMT2AEPHX1
SCHEMBL5194126 0.75 SUCNR1 (0.42) ALDH1A1TSHR
SCHEMBL5195767 0.75 SUCNR1 (0.42) ALDH1A1TSHR
SCHEMBL5608067 0.75 SUCNR1 (0.42) ALDH1A1TSHR
SCHEMBL5608543 0.73 SMN1; SMN2 (0.39) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL5608583 0.70 ALDH1A1 (0.33) ALDH1A1TSHREPHX1
SCHEMBL5608908 0.69 ALDH1A1 (0.43) MEN1KMT2AALDH1A1TSHR
SCHEMBL8460508 0.69 SUCNR1 (0.40) GAAALDH1A1
SCHEMBL5608730 0.68 EPHX1 (0.39) CYP2C19EPHX1
SCHEMBL12895713 0.68 CES2 (0.50) GAAALDH1A1TSHREPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1403260-B1 Optically active epoxy compounds and processes for their production TOSOH CORP (JP) 2007-08-08 EP disclosed
US-7169944-B2 Optically active epoxy compounds and processes for their production TOSOH CORPORATION (JP) 2007-01-30 US disclosed
US-20040063979-A1 Optically active epoxy compounds and processes for their production TOSOH CORPORATION (JP) 2004-04-01 US disclosed
EP-1403260-A2 Optically active epoxy compounds and processes for their production Tosoh Corporation (JP) 2004-03-31 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 (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-20040063979-A1 Optically active epoxy compounds and processes for their production CYP51A1, CYP11B1, PTGES RIPK1 3569/4885MEN1 2396/4885GAA 3800/4885

“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.