SCHEMBL6602399

SCHEMBL6602399

NCC1COCCOCCOCCO1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
CHRM3 P20309 1/20 0.48
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
TTR P02766 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
SCHEMBL1247208 1.00 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM3GRIN1
SCHEMBL7749229 1.00 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM3GRIN1
SCHEMBL18101264 1.00 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM3GRIN1
SCHEMBL30896646 1.00 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM3GRIN1
SCHEMBL1246378 1.00 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM3GRIN1
SCHEMBL25124368 1.00 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM3GRIN1
SCHEMBL8072720 0.97
SCHEMBL5257989 0.97
SCHEMBL455134 0.97
Hydrochloric Acid SCHEMBL20767612 0.95

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995015983-A1 PROCESS FOR IMMOBILISING BIOMOLECULES AND AFFINITY LIGANDS ON POLYMER CARRIERS GLUESENKAMP KARL HEINZ (DE) 1995-06-15 WO claimed
US-20190293667-A1 Solid Phase Extraction, Derivatization with Crown Ethers, and Mass Spectrometry, Methods, Reagents and Kits TECAN SP, INC. (US) 2019-09-26 US disclosed
WO-2016160741-A1 SOLID PHASE EXTRACTION, DERIVATIZATION WITH CROWN ETHERS, AND MASS SPECTROMETRY, METHODS, REAGENTS AND KITS QUANTALYTICAL LABS INC. (US) 2016-10-06 WO disclosed
US-20160282371-A1 Solid Phase Extraction, Derivatization with Crown Ethers, and Mass Spectrometry, Methods, Reagents and Kits QUANTALYTICAL LABS INC. (US) 2016-09-29 US disclosed
US-20160282371-A1 Solid Phase Extraction, Derivatization with Crown Ethers, and Mass Spectrometry, Methods, Reagents and Kits QUANTALYTICAL LABS INC. (US) 2016-09-29 US disclosed
EP-0966468-B1 CROWN ETHER-DERIVATISED PERYLENES CIBA SC HOLDING AG (CH) 2004-09-22 EP disclosed
US-6602692-B1 Reacting a water insoluble matrix having amino groups such as membranes, resins, microtiter plates, with an activating cyclobutene such as 1,2-diethoxycyclobut-1-en-3,4-dione and then incubating with an amino-functional protein GLUESENKAMP KARL-HEINZ (DE) 2003-08-05 US disclosed
US-6323163-B1 PERFLUOROPOLYOXYALKYLENE CHAIN HAVING AVERAGE MOLECULAR WEIGHT OF 800 OR MORE, CONTAINING CYCLIC POLYETHER GROUP HAVING AT LEAST 4 OXYGEN ATOMS, ALSO HAVING AMIDE, SULFONAMIDE, ETHER OR ESTER LINKAGE BETWEEN CHAIN AND CYCLIC GROUP HITACHI, LTD. (JP) 2001-11-27 US disclosed
EP-0966468-A1 CROWN ETHER-DERIVATISED PERYLENES Ciba SC Holding AG (CH) 1999-12-29 EP disclosed
WO-1998039333-A1 CROWN ETHER-DERIVATISED PERYLENES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1998-09-11 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-20190293667-A1 Solid Phase Extraction, Derivatization with Crown Ethers, and Mass Spectrometry, Methods, Reagents and Kits CYP2C8, CES2, UGT1A8 CHRM2 2186/4885CHRM4 1139/4885CHRM5 1582/4885

“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.