SCHEMBL6396181

SCHEMBL6396181

C1CCC(c2nc(C3CCCCC3)nc(C3CCCCC3)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 8/20 0.43
PDE4A P27815 6/20 0.43
PDE4B Q07343 6/20 0.43
PDE4C Q08493 6/20 0.43
PDE4D Q08499 6/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
POLB P06746 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
PDE5A O76074 2/20 0.40
PDE10A Q9Y233 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NISCH Q9Y2I1 1/20 0.37

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
SCHEMBL17486092 0.87 PDE10A (0.43) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL22041445 0.87 PDE10A (0.43) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL18383786 0.87 HRH2 (0.43) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL19227824 0.87 PDE10A (0.43) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL19227823 0.87 PDE10A (0.43) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL19679967 0.87 PDE10A (0.43) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL17486269 0.83 PDE10A (0.44) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL4838901 0.81 HRH2 (0.43) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL16388486 0.81 PDE10A (0.43) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL21573348 0.81 PDE10A (0.43) CHRM3PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11692077-B2 Polymer composition containing a phosphonate flame retardant CHEMISCHE FABRIK BUDENHEIM KG (DE) 2023-07-04 US disclosed
US-20210309831-A1 POLYMER COMPOSITION CONTAINING A PHOSPHONATE FLAME RETARDANT CHEMISCHE FABRIK BUDENHEIM KG (DE) 2021-10-07 US disclosed
EP-3837311-A1 POLYMER COMPOSITION CONTAINING A PHOSPHONATE FLAME RETARDANT Chemische Fabrik Budenheim KG (DE) 2021-06-23 EP disclosed
US-10991980-B2 Electrolytic solution for secondary battery, secondary battery, battery pack, electrically-driven vehicle, electric power storage system, electrically-driven tool, and electronic device MURATA MANUFACTURING CO., LTD. (JP) 2021-04-27 US disclosed
WO-2020035458-A1 POLYMER COMPOSITION CONTAINING A PHOSPHONATE FLAME RETARDANT CHEMISCHE FABRIK BUDENHEIM KG (DE) 2020-02-20 WO disclosed
US-20190267672-A1 ELECTROLYTIC SOLUTION FOR SECONDARY BATTERY, SECONDARY BATTERY, BATTERY PACK, ELECTRICALLY-DRIVEN VEHICLE, ELECTRIC POWER STORAGE SYSTEM, ELECTRICALLY-DRIVEN TOOL, AND ELECTRONIC DEVICE MURATA MANUFACTURING CO., LTD. (JP) 2019-08-29 US disclosed
EP-1445272-B1 Hydrogenation of methylenedianiline homologs and epoxy resins cured with same AIR PROD & CHEM (US) 2016-08-31 EP disclosed
US-20160059083-A1 GOLF BALL COMPOSITIONS ACUSHNET COMPANY (US) 2016-03-03 US disclosed
US-9115119-B2 Electron transport material and organic light emitting device AU OPTRONICS CORPORATION (TW) 2015-08-25 US disclosed
US-20130153863-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC LIGHT EMITTING DEVICE AU OPTRONICS CORPORATION (TW) 2013-06-20 US disclosed
US-6962964-B2 Hydrogenation of methylenedianiline homologs and epoxy resins cured with same AIR PRODUCTS AND CHEMICALS, INC. (US) 2005-11-08 US disclosed
US-20040162409-A1 Hydrogenation of methylenedianiline homologs and epoxy resins cured with same EVONIK OPERATIONS GMBH (DE) 2004-08-19 US disclosed
EP-1445272-A2 Hydrogenation of methylenedianiline homologs and epoxy resins cured with same AIR PRODUCTS AND CHEMICALS, INC. (US) 2004-08-11 EP disclosed
EP-0554823-B1 Epoxy resins cured with mixed methylene bridged poly(cyclohexyl-aromatic)amine curing agents AIR PROD & CHEM (US) 1996-04-24 EP disclosed
US-5414067-A Raising the temperature of the curable epoxy group polymers to speed curing AIR PRODUCTS AND CHEMICALS, INC. (US) 1995-05-09 US disclosed
US-5280091-A Polyglycidyl polyether of a polyhydric alcohol AIR PRODUCTS AND CHEMICALS, INC. (US) 1994-01-18 US disclosed
EP-0554823-A1 Epoxy resins cured with mixed methylene bridged poly(cyclohexyl-aromatic)amine curing agents AIR PRODUCTS AND CHEMICALS, INC. (US) 1993-08-11 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-20130153863-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC LIGHT EMITTING DEVICE SLC18A1, SLC1A2, SLC29A1 CHRM3 2058/4885PDE4A 4698/4885PDE4B 4576/4885

“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.