SCHEMBL714615

SCHEMBL714615

C=CCNCCC[N+](C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
APEX1 P27695 3/20 0.38
ACHE P22303 3/20 0.38
NFKB1 P19838 2/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PMP22 Q01453 2/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
KDM1A O60341 5/20 0.33
PAOX Q6QHF9 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
SMOX Q9NWM0 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 SCHEMBL28916544 0.98 APEX1 (0.40) MEN1KMT2AAPEX1ACHENFKB1
SCHEMBL5154412 0.93 MEN1 (0.42) MEN1KMT2AAPEX1ACHENFKB1
SCHEMBL12047846 0.91 MEN1 (0.46) MEN1KMT2AAPEX1ACHENFKB1
Hydrochloric Acid SCHEMBL28686190 0.90 MEN1 (0.44) MEN1KMT2AAPEX1ACHENFKB1
Hydrochloric Acid SCHEMBL2021971 0.90 APEX1 (0.48) MEN1KMT2AAPEX1ACHENFKB1
Water SCHEMBL4405264 0.84 LMNA (0.31) LMNA
Hydrochloric Acid SCHEMBL28596004 0.84 APEX1 (0.32) APEX1NPSR1
SCHEMBL176501 0.83 LSS (0.37) KDM1APAOXCNR1CNR2SMOX
SCHEMBL19630714 0.81 DNM1 (0.40) KMT2AKDM1APAOXCNR1CNR2
SCHEMBL4782686 0.79 DNM1 (0.43) KMT2AKDM1ACNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1014999-B1 CATIONIC POLYMERS AS TOXIN-BINDING AGENTS GENZYME CORP (US) 2004-12-08 EP claimed
EP-1014999-A1 CATIONIC POLYMERS AS TOXIN-BINDING AGENTS GELTEX PHARMACEUTICALS, INC. (US) 2000-07-05 EP claimed
WO-1999015186-A1 CATIONIC POLYMERS AS TOXIN-BINDING AGENTS GELTEX PHARMACEUTICALS, INC. (US) 1999-04-01 WO claimed
EP-3181227-A1 POLYMERIC FUNCTIONAL MEMBRANE FOR REMOVING NITRATE IONS, PRODUCTION METHOD THEREFOR, SEPARATION MEMBRANE MODULE, AND ION EXCHANGE DEVICE Fujifilm Corporation (JP) 2017-06-21 EP disclosed
EP-2423180-B1 QUATERNARY AMMONIUM COMPOSITION CLARIANT INT LTD (CH) 2016-07-06 EP disclosed
EP-2423180-A1 Quaternary ammonium composition Clariant Finance (BV) Limited (VG) 2012-02-29 EP disclosed
EP-2159276-A1 Solid or gel surfactant composition Clariant (Brazil) S.A. (BR) 2010-03-03 EP disclosed
US-7348303-B2 Quaternary ammonium composition CLARIANT INTERNATIONAL, LTD. (CH) 2008-03-25 US disclosed
US-20060135389-A1 Quaternary Ammonium Composition CLARIANT INTERNATIONAL LTD. (CH) 2006-06-22 US disclosed
US-6897187-B2 Light duty liquid cleaners comprising a monoalkoxylated quaternary ammonium surfactant CLARIANT INTERNATIONAL LTD. (CH) 2005-05-24 US disclosed
US-20050020473-A1 Liquid all-purposes cleaners GALLOTTI MANLIO (BR) 2005-01-27 US disclosed
US-20020114774-A1 Ionic polymers as toxin-binding agents GELTEX PHARMACEUTICALS, INC. 2002-08-22 US disclosed
WO-2001094511-A1 LIQUID ALL-PURPOSE CLEANERS CLARIANT INTERNATIONAL LTD (CH) 2001-12-13 WO disclosed
EP-1162254-A1 Liquid all-purpose cleaners CLARIANT INTERNATIONAL LTD. (CH) 2001-12-12 EP disclosed
EP-1158040-A1 Light duty liquid cleaners CLARIANT INTERNATIONAL LTD. (CH) 2001-11-28 EP disclosed
WO-2001088073-A1 LIGHT DUTY LIQUID CLEANERS CLARIANT INTERNATIONAL LTD (CH) 2001-11-22 WO disclosed
US-6290947-B1 IN ONE EMBODIMENT, THE POLYMER IS A COPOLYMER COMPRISING A MONOMER HAVING A PENDANT AMMONIUM GROUP AND A HYDROPHOBIC MONOMER. GELTEX PHARMACEUTICALS, INC. 2001-09-18 US disclosed
EP-1014999-A1 CATIONIC POLYMERS AS TOXIN-BINDING AGENTS GELTEX PHARMACEUTICALS, INC. (US) 2000-07-05 EP disclosed
US-6007803-A ADMINISTERING TO MAMMAL A CATIONIC POLYMER TO INHIBIT PATHOGENIC TOXINS GELTEX PHARMACEUTICALS, INC. (US) 1999-12-28 US disclosed
WO-1999015186-A1 CATIONIC POLYMERS AS TOXIN-BINDING AGENTS GELTEX PHARMACEUTICALS, INC. (US) 1999-04-01 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 (2 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-20020114774-A1 Ionic polymers as toxin-binding agents PIGS, ANTXR2, MSN MEN1 1450/4885KMT2A 3812/4885APEX1 1662/4885
US-20060135389-A1 Quaternary Ammonium Composition H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C9, SLC10A6 MEN1 2768/4885KMT2A 1092/4885APEX1 3674/4885

“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.