SCHEMBL10049786

SCHEMBL10049786

ICCOC1CC/C=C/CCC1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 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
SCHEMBL6926390 0.82
SCHEMBL12360370 0.81 NPC1 (0.36) NPC1
SCHEMBL5754557 0.80 NPC1 (0.52) NPC1
SCHEMBL15397400 0.79 NPC1 (0.35) NPC1
SCHEMBL9275152 0.79 NPC1 (0.35) NPC1
SCHEMBL23571323 0.79 NPC1 (0.35) NPC1
SCHEMBL15305930 0.79 NPC1 (0.35) NPC1
SCHEMBL24994506 0.79 NPC1 (0.35) NPC1
SCHEMBL10049953 0.79 NPC1 (0.35) NPC1
SCHEMBL15305934 0.79 NPC1 (0.35) NPC1

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-2595967-B1 TETRAZINE-TRANS-CYCLOOCTENE LIGATION FOR THE RAPID CONSTRUCTION OF RADIONUCLIDE LABELED PROBES UNIV DELAWARE (US) 2016-03-23 EP disclosed
US-20130266512-A1 Tetrazine-trans-cyclooctene Ligation for the Rapid Construction of Radionuclide Labeled Probes UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2013-10-10 US disclosed
US-20130266512-A1 Tetrazine-trans-cyclooctene Ligation for the Rapid Construction of Radionuclide Labeled Probes UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2013-10-10 US disclosed
WO-2012012612-A2 TETRAZINE-TRANS-CYCLOOCTENE LIGATION FOR THE RAPID CONSTRUCTION OF RADIONUCLIDE LABELED PROBES UNIVERSITY OF DELAWARE (US) 2012-01-26 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-20130266512-A1 Tetrazine-trans-cyclooctene Ligation for the Rapid Construction of Radionuclide Labeled Probes TTL, TALDO1, TTI1 NPC1 3606/4885

“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.