SCHEMBL401436

SCHEMBL401436

CCOC(C)OCC.O=CC(F)F

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
THRB P10828 1/20 0.35

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
SCHEMBL9789571 0.88 LMNA (0.57) LMNATHRB
Isobutyraldehyde SCHEMBL427264 0.84 LMNA (0.67) LMNATHRB
SCHEMBL11338287 0.82 LMNA (0.63) LMNATHRB
SCHEMBL11769218 0.82 LMNA (0.63) LMNATHRB
SCHEMBL4293299 0.81 LMNA (0.71) LMNATHRB
Acetaldehyde SCHEMBL212729 0.81 LMNA (0.71) LMNATHRB
SCHEMBL5582150 0.80 LMNA (0.60) LMNATHRB
SCHEMBL9192876 0.80 LMNA (0.60) LMNATHRB
SCHEMBL8039396 0.80 LMNA (0.60) LMNATHRB
SCHEMBL5182043 0.80 LMNA (0.60) LMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637673-B2 Method for producing 2,2-difluoroethylamine derivatives by imine hydrogenation BAYER CROPSCIENCE AG (DE) 2014-01-28 US disclosed
US-20120022264-A1 METHOD FOR PRODUCING 2,2 DIFLUOROETHYLAMINE DERIVATIVES BY IMINE HYDROGENATION BAYER CROPSCIENCE AG (DE) 2012-01-26 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-20120022264-A1 METHOD FOR PRODUCING 2,2 DIFLUOROETHYLAMINE DERIVATIVES BY IMINE HYDROGENATION CYP2F1, AKR7A2, INF2 LMNA 2646/4885THRB 2128/4885

“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.