SCHEMBL2702135

SCHEMBL2702135

C1CCOCC1.C1CCOCC1.C1CCOCC1.CCOC(C)OCC

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.33

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
SCHEMBL6867778 1.00 LMNA (0.57) LMNAALDH1A1THRB
Tetrahydrofuran SCHEMBL2260480 0.98 LMNA (0.60) LMNAALDH1A1THRB
Tetrahydrofuran SCHEMBL9877354 0.98 LMNA (0.60) LMNAALDH1A1THRB
Dioxane SCHEMBL7672675 0.87 LMNA (0.67) LMNAALDH1A1THRB
Cyclopropane SCHEMBL1406305 0.84 LMNA (0.80) LMNATHRB
SCHEMBL7847095 0.84 LMNA (0.80) LMNATHRB
SCHEMBL767256 0.84 LMNA (0.55) LMNATHRB
Tetrahydrofuran SCHEMBL9464976 0.83 ALDH1A1 (0.40) LMNAALDH1A1THRB
Tetrahydrofuran SCHEMBL9148484 0.82 LMNA (0.43) LMNA
Tetrahydrofuran SCHEMBL10505828 0.80 THRB (0.58) LMNAALDH1A1THRB

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
US-8884032-B2 Trioxane monomers and dimers THE JOHNS HOPKINS UNIVERSITY (US) 2014-11-11 US disclosed
US-20120108545-A1 Trioxane Monomers and Dimers THE JOHNS HOPKINS UNIVERSITY (US) 2012-05-03 US disclosed
WO-2010135427-A2 TRIOXANE MONOMERS AND DIMERS THE JOHNS HOPKINS UNIVERSITY (US) 2010-11-25 WO 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-20120108545-A1 Trioxane Monomers and Dimers CDK10, TMSB10, CASP10 LMNA 523/4885ALDH1A1 1853/4885THRB 773/4885

“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.