SCHEMBL898754

SCHEMBL898754

CCCCN1C=CN(CCOC)C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GLB1 P16278 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL898763 0.88 ALDH1A1 (0.35) ALDH1A1
SCHEMBL4904927 0.87 ALDH1A1 (0.40) ALDH1A1
SCHEMBL329125 0.85 GLB1 (0.38) ALDH1A1KMT2AGLB1
SCHEMBL3307029 0.84 GLB1 (0.31) GLB1
SCHEMBL424012 0.83 ALDH1A1 (0.35) ALDH1A1
Bromide SCHEMBL23071102 0.83 GLB1 (0.37) ALDH1A1KMT2AGLB1
Hydrochloric Acid SCHEMBL558002 0.83 GLB1 (0.37) MEN1KMT2AGLB1
Iodide SCHEMBL31332603 0.83 GLB1 (0.37) ALDH1A1KMT2AGLB1
Bromide SCHEMBL556686 0.83 GLB1 (0.37) ALDH1A1KMT2AGLB1
Bromide SCHEMBL29198551 0.82 ALDH1A1 (0.34) ALDH1A1

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921589-B2 Electrolyte formulations MERCK PATENT GMBH (DE) 2014-12-30 US claimed
US-8829201-B2 Electrolyte Formulations MERCK PATENT GMBH (DE) 2014-09-09 US claimed
US-20120318360-A1 Electrolyte Formulations MERCK PATENT GMBH (DE) 2012-12-20 US claimed
WO-2017067631-A1 BLUE OPTOELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2017-04-27 WO disclosed
EP-2731955-B1 COMPOUNDS CONTAINING ALKYL-CYANO-BORATE OR ALKYL-CYANO-FLUOROBORATE ANIONS MERCK PATENT GMBH (DE) 2017-01-11 EP disclosed
EP-2925768-B1 COBALTCOMPLEX SALTS MERCK PATENT GMBH (DE) 2016-12-21 EP disclosed
US-9518068-B2 Compounds containing hydrido-tricyano-borate anions MERCK PATENT GMBH (DE) 2016-12-13 US disclosed
EP-2714698-B1 COMPOUNDS CONTAINING HYDRIDO-TRICYANO-BORATE ANIONS MERCK PATENT GMBH (DE) 2016-11-09 EP disclosed
US-9409925-B2 Compounds containing hydrido-tricyano-borate anions MERCK PATENT GMBH (DE) 2016-08-09 US disclosed
CN-103687863-B9 Compound containing alkyl-cyano group-borate or alkyl-cyano group-fluoboric acid root anion 默克专利有限公司 2016-07-27 CN disclosed
US-20160167972-A1 COMPOUNDS CONTAINING HYDRIDO-TRICYANO-BORATE ANIONS MERCK PATENT GMBH (DE) 2016-06-16 US disclosed
US-20120309982-A1 ELECTROLYTE FORMULATIONS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-06 US disclosed
WO-2012163489-A1 COMPOUNDS CONTAINING HYDRIDO-TRICYANO-BORATE ANIONS MERCK PATENT GMBH (DE) 2012-12-06 WO disclosed
WO-2012163490-A1 ELECTROLYTE FORMULATIONS MERCK PATENT GMBH (DE) 2012-12-06 WO disclosed
US-20120296096-A1 COMPOUNDS CONTAINING PERFLUOROALKYL-CYANO-ALKOXY-BORATE ANIONS OR PERFLUOROALKYL-CYANO-ALKOXY-FLUORO-BORATE ANIONS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-11-22 US disclosed
CN-102712660-A Compounds containing perfluoroalkyl-cyano-alkoxy-borate anions or perfluoroalkyl-cyano-alkoxy-fluoro-borate anions MERCK PATENT GMBH 2012-10-03 CN disclosed
WO-2012041437-A2 ELECTROLYTE FORMULATIONS MERCK PATENT GMBH (DE) 2012-04-05 WO disclosed
WO-2012041434-A1 ELECTROLYTE FORMULATIONS CONTAINING CYANO-ALKOXY-BORATE ANIONS MERCK PATENT GMBH (DE) 2012-04-05 WO disclosed
WO-2011085964-A1 ELECTROLYTE FORMULATIONS MERCK PATENT GMBH (DE) 2011-07-21 WO disclosed
WO-2011085965-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 (3 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 ALDH1A1 1217/4885MEN1 1923/4885KMT2A 2453/4885
US-20120309982-A1 ELECTROLYTE FORMULATIONS SLC9A5, NHERF1, AFF1 ALDH1A1 676/4885MEN1 2076/4885KMT2A 2401/4885
US-20120296096-A1 COMPOUNDS CONTAINING PERFLUOROALKYL-CYANO-ALKOXY-BORATE ANIONS OR PERFLUOROALKYL-CYANO-ALKOXY-FLUORO-BORATE ANIONS PFAS, PFKFB3, PFKFB1 ALDH1A1 1621/4885MEN1 2694/4885KMT2A 4075/4885

“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.