SCHEMBL804253

SCHEMBL804253

N#C[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2C#N

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL19011757 1.00 THRB (0.32) THRBLMNA
SCHEMBL803397 1.00 THRB (0.32) THRBLMNA
SCHEMBL19011892 1.00 THRB (0.32) THRBLMNA
SCHEMBL15391925 1.00 THRB (0.32) THRBLMNA
SCHEMBL15391171 1.00 THRB (0.32) THRBLMNA
SCHEMBL804256 1.00 THRB (0.32) THRBLMNA
SCHEMBL17445737 0.85 THRB (0.59) THRBLMNA
SCHEMBL17437708 0.85 THRB (0.59) THRBLMNA
SCHEMBL15696572 0.85
SCHEMBL18837974 0.85

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
WO-2017105985-A1 PREPARATION OF ISOHEXIDE-3,6-DICARBALDEHYDES AND ISOHEXIDE-3,6-DIMETHANAMINES ARCHER DANIELS MIDLAND COMPANY (US) 2017-06-22 WO disclosed
WO-2017105985-A1 PREPARATION OF ISOHEXIDE-3,6-DICARBALDEHYDES AND ISOHEXIDE-3,6-DIMETHANAMINES ARCHER DANIELS MIDLAND COMPANY (US) 2017-06-22 WO disclosed
WO-2013173020-A1 ISOSORBIDE AND ISOMANNIDE DERIVATIVES AND PROCESSES FOR MAKING THE SAME ARCHER DANIELS MIDLAND COMPANY (US) 2013-11-21 WO disclosed
US-20120071577-A1 USE OF ISOCYANATES BASED ON RENEWABLE RAW MATERIALS EVONIK DEGUSSA GMBH (DE) 2012-03-22 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-20120071577-A1 USE OF ISOCYANATES BASED ON RENEWABLE RAW MATERIALS G6PD, DERA, MPI THRB 4698/4885LMNA 2634/4885

“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.