SCHEMBL898636

SCHEMBL898636

CCC[N+](C)(C)C.CCC[N+](C)(C)C.CCC[N+](C)(C)C.N#CB([O-])F.N#CB([O-])F.N#CB([O-])F

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.34
HSP90AA1 P07900 1/20 0.34
RAD52 P43351 1/20 0.34
DNM1 Q05193 6/20 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
SCHEMBL15212352 0.86 APAF1 (0.37) APAF1HSP90AA1RAD52DNM1
SCHEMBL4306166 0.83 DNM1 (0.39) APAF1HSP90AA1RAD52DNM1
SCHEMBL28751118 0.77 DNM1 (0.43) APAF1HSP90AA1RAD52DNM1
Tetrylammonium SCHEMBL899273 0.73 TSHR (0.42)
SCHEMBL15212411 0.73 APAF1 (0.50) APAF1HSP90AA1RAD52DNM1
SCHEMBL898635 0.71 APAF1 (0.37) APAF1HSP90AA1RAD52DNM1
Water SCHEMBL1397159 0.71
SCHEMBL160184 0.71
SCHEMBL13169630 0.71
SCHEMBL15212350 0.69 APAF1 (0.39) APAF1HSP90AA1RAD52DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921589-B2 Electrolyte formulations MERCK PATENT GMBH (DE) 2014-12-30 US disclosed
US-8829201-B2 Electrolyte Formulations MERCK PATENT GMBH (DE) 2014-09-09 US disclosed
EP-2622617-A2 ELECTROLYTE FORMULATIONS Merck Patent GmbH (DE) 2013-08-07 EP disclosed
US-20130180591-A1 ELECTROLYTE FORMULATIONS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-07-18 US disclosed
US-20120318360-A1 Electrolyte Formulations MERCK PATENT GMBH (DE) 2012-12-20 US disclosed
WO-2012041437-A2 ELECTROLYTE FORMULATIONS MERCK PATENT GMBH (DE) 2012-04-05 WO disclosed
WO-2011085964-A1 ELECTROLYTE FORMULATIONS MERCK PATENT GMBH (DE) 2011-07-21 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-20120318360-A1 Electrolyte Formulations NHERF1, HCN4, DDT APAF1 4563/4885HSP90AA1 4529/4885RAD52 4137/4885

“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.