SCHEMBL14659

SCHEMBL14659

O[C@]12CCCCC1OCCC2

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.42
MAPT P10636 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
SCHEMBL15810093 1.00 MET (0.42) METMAPT
SCHEMBL14668 1.00 MET (0.42) METMAPT
SCHEMBL16015582 1.00 MET (0.42) METMAPT
SCHEMBL15827866 1.00 MET (0.42) METMAPT
SCHEMBL14663 1.00 MET (0.42) METMAPT
SCHEMBL6011039 0.93 MET (0.39) METMAPT
SCHEMBL20854322 0.91 MET (0.38) MET
SCHEMBL28851558 0.88 MET (0.35) MET
SCHEMBL9016155 0.74 MET (0.30) MET
SCHEMBL12796478 0.72 KMT2A (0.36) MET

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-20120196894-A1 NOVEL TRPA1 ANTAGONISTS SCHERING CORPORATION 2012-08-02 US disclosed
WO-2011043954-A1 NOVEL TRPA1 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-04-14 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-20120196894-A1 NOVEL TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 MET 4376/4885MAPT 1294/4885

“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.