SCHEMBL1045330

SCHEMBL1045330

c1ccc(CN2CCCN(Cc3ccccc3)CCCN(Cc3ccccc3)CCC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.81
MC4R P32245 1/20 0.65
HRH3 Q9Y5N1 1/20 0.65
DRD4 P21917 1/20 0.63
LMNA P02545 1/20 0.63
POLB P06746 1/20 0.63
ACHE P22303 1/20 0.61
CHKA P35790 1/20 0.59
CYP3A4 P08684 2/20 0.59
HSD17B10 Q99714 1/20 0.59
CCR3 P51677 1/20 0.59
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58

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
SCHEMBL2228267 1.00 SIGMAR1 (0.81) SIGMAR1MC4RHRH3DRD4LMNA
SCHEMBL329650 1.00 SIGMAR1 (0.81) SIGMAR1MC4RHRH3DRD4LMNA
SCHEMBL1043563 0.98 SIGMAR1 (0.86) SIGMAR1MC4RHRH3DRD4LMNA
Water SCHEMBL17460165 0.98 SIGMAR1 (0.77) SIGMAR1MC4RHRH3DRD4LMNA
SCHEMBL1044952 0.98 SIGMAR1 (0.86) SIGMAR1MC4RHRH3DRD4LMNA
SCHEMBL577331 0.98 SIGMAR1 (0.86) SIGMAR1MC4RHRH3DRD4LMNA
SCHEMBL576379 0.98 SIGMAR1 (0.86) SIGMAR1MC4RHRH3DRD4LMNA
SCHEMBL1777747 0.95 SIGMAR1 (0.81) SIGMAR1MC4RHRH3DRD4LMNA
SCHEMBL13952 0.95 SIGMAR1 (0.81) SIGMAR1MC4RHRH3DRD4LMNA
Ammonia Solution, Strong SCHEMBL3699405 0.93 SIGMAR1 (0.77) SIGMAR1MC4RHRH3DRD4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115911573-A Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2023-04-04 CN disclosed
CN-106848406-B Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery 三菱化学株式会社 2020-09-11 CN disclosed
CN-111048841-A Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2020-04-21 CN disclosed
EP-2144321-B1 NONAQUEOUS ELECTROLYTE FOR SECONDARY BATTERY AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY EMPLOYING THE SAME MITSUBISHI CHEM CORP (JP) 2019-01-23 EP disclosed
EP-2597717-B1 NONAQUEOUS ELECTROLYTE FOR SECONDARY BATTERY AND NONAQUEOUS-ELECTROLYTE SECONDARY BATTERY EMPLOYING THE SAME MITSUBISHI CHEM CORP (JP) 2018-07-25 EP disclosed
US-9590270-B2 Nonaqueous electrolyte for secondary battery and nonaqueous-electrolyte secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2017-03-07 US disclosed
US-9553334-B2 2017-01-24 US disclosed
US-9281541-B2 Nonaqueous electrolyte for secondary battery and nonaqueous-electrolyte secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2016-03-08 US disclosed
US-9093716-B2 Nonaqueous electrolyte for secondary battery and nonaqueous-electrolyte secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-28 US disclosed
EP-2269995-B1 PROCESS FOR PRODUCTION OF POLYMERS WITH IRON COMPLEX CATALYST DAINIPPON INK & CHEMICALS (JP) 2012-12-12 EP disclosed
US-8017706-B2 Process for production of polymers with iron complex catalyst DIC CORPORATION (JP) 2011-09-13 US disclosed
US-20110105703-A1 PROCESS FOR PRODUCTION OF POLYMERS WITH IRON COMPLEX CATALYST DIC Corporatio (JP) 2011-05-05 US disclosed
EP-2269995-A1 PROCESS FOR PRODUCTION OF POLYMERS WITH IRON COMPLEX CATALYST DIC Corporation (JP) 2011-01-05 EP 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-20110105703-A1 PROCESS FOR PRODUCTION OF POLYMERS WITH IRON COMPLEX CATALYST TFRC, FECH, FTH1 SIGMAR1 886/4885MC4R 2085/4885HRH3 1774/4885

“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.