SCHEMBL1465458

SCHEMBL1465458

CC(C)P(Cc1cccc(CP(C(C)C)C(C)C)n1)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.38
NPSR1 Q6W5P4 1/20 0.35
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33
GRIN3A Q8TCU5 2/20 0.33
CXCR4 P61073 2/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 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
Hydrochloric Acid SCHEMBL28145952 0.98 KCNH2 (0.36) KCNH2NPSR1PGK1PGK2HRH4
SCHEMBL1466621 0.92 KCNH2 (0.33) KCNH2NPSR1PGK1PGK2
SCHEMBL1465789 0.92 KCNH2 (0.33) KCNH2NPSR1PGK1PGK2
SCHEMBL1467560 0.92 KCNH2 (0.33) KCNH2NPSR1PGK1PGK2CXCR4
SCHEMBL17425957 0.90 CCR1 (0.37) KCNH2NOS1NOS2
SCHEMBL26886755 0.83 TGFBR1 (0.33) KCNH2CXCR4
SCHEMBL26788249 0.82 TLR7 (0.32) NOS1NOS2
SCHEMBL15329105 0.79 KDM4E (0.52)
SCHEMBL17425956 0.78 CCR1 (0.45)
SCHEMBL30954773 0.77 ALDH1A1 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230372915-A1 MANGANESE BASED COMPLEXES AND USES THEREOF FOR HOMOGENEOUS CATALYSIS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2023-11-23 US disclosed
US-11731116-B2 Manganese based complexes and uses thereof for homogeneous catalysis YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2023-08-22 US disclosed
EP-2629889-B1 RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF YEDA RES & DEV (IL) 2019-04-03 EP disclosed
EP-3083647-B1 HYDROGENATION OF ESTERS WITH FE/TRIDENTATE LIGANDS COMPLEXES FIRMENICH & CIE (CH) 2018-07-04 EP disclosed
EP-2758416-B1 NICKEL CONTAINING HYDROSILYLATION CATALYSTS AND COMPOSITIONS CONTAINING THE CATALYSTS DOW CORNING (US) 2018-05-09 EP disclosed
CN-101730656-B Method for the production of hydrogen from ammonia borane 卡娜塔化学技术股份有限公司 2017-05-03 CN disclosed
US-20170107251-A1 NOVEL RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-04-20 US disclosed
US-9545624-B2 Nickel containing hydrosilylation catalysts and compositions containing the catalysts DOW CORNING CORPORATION (US) 2017-01-17 US disclosed
US-9545624-B2 Nickel containing hydrosilylation catalysts and compositions containing the catalysts DOW CORNING CORPORATION (US) 2017-01-17 US disclosed
US-20160318956-A1 HYDROGENATION OF ESTERS WITH FE/TRIDENTATE LIGANDS COMPLEXES FIRMENICH SA (CH) 2016-11-03 US disclosed
WO-2013043785-A2 NICKEL CONTAINING HYDROSILYLATION CATALYSTS AND COMPOSITIONS CONTAINING THE CATALYSTS DOW CORNING CORPORATION (US) 2013-03-28 WO disclosed
WO-2013043783-A2 COBALT CONTAINING HYDROSILYLATION CATALYSTS AND COMPOSITIONS CONTAINING THE CATALYSTS DOW CORNING CORPORATION (US) 2013-03-28 WO disclosed
WO-2013043912-A2 IRON CONTAINING HYDROSILYLATION CATALYSTS AND COMPOSITIONS CONTAINING THE CATALYSTS DOW CORNING CORPORATION (US) 2013-03-28 WO disclosed
WO-2013043792-A2 COPPER CONTAINING HYDROSILYLATION CATALYSTS AND COMPOSITIONS CONTAINING THE CATALYSTS DOW CORNING CORPORATION (US) 2013-03-28 WO disclosed
WO-2012052996-A2 NOVEL RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2012-04-26 WO disclosed
US-20110104046-A1 METHOD FOR THE PRODUCTION OF HYDROGEN FROM THE DEHYDROCOUPLING OF AMINE BORANES KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2011-05-05 US disclosed
US-20110070152-A1 METHOD FOR THE PRODUCTION OF HYDROGEN FROM AMMONIA BORANE KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2011-03-24 US disclosed
US-20110070152-A1 METHOD FOR THE PRODUCTION OF HYDROGEN FROM AMMONIA BORANE KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2011-03-24 US disclosed
EP-2158154-A1 METHOD FOR THE PRODUCTION OF HYDROGEN FROM AMMONIA BORANE Kanata Chemical Technologies Inc. (CA) 2010-03-03 EP disclosed
WO-2008141439-A1 METHOD FOR THE PRODUCTION OF HYDROGEN FROM AMMONIA BORANE KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2008-11-27 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 (4 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-20160318956-A1 HYDROGENATION OF ESTERS WITH FE/TRIDENTATE LIGANDS COMPLEXES PC, ADH5, PDK1 KCNH2 2418/4885NPSR1 3108/4885PGK1 976/4885
US-20170107251-A1 NOVEL RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF ADH1C, ADH5, ADH1A KCNH2 1607/4885NPSR1 927/4885PGK1 3219/4885
US-20230372915-A1 MANGANESE BASED COMPLEXES AND USES THEREOF FOR HOMOGENEOUS CATALYSIS ADH1C, OTC, MLEC KCNH2 543/4885NPSR1 3424/4885PGK1 4154/4885
US-11731116-B2 Manganese based complexes and uses thereof for homogeneous catalysis ADH1C, OTC, ADH5 KCNH2 491/4885NPSR1 3035/4885PGK1 3898/4885

“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.