SCHEMBL363085

SCHEMBL363085

CCc1cccc(C)[n+]1C

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 16/20 0.42
TP53 P04637 1/20 0.35
GABRA1 P14867 2/20 0.31
GABRB2 P47870 2/20 0.31

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
SCHEMBL29868887 1.00 KCNH2 (0.42) KCNH2TP53GABRA1GABRB2
SCHEMBL19458253 0.85 KCNH2 (0.54) KCNH2TP53
SCHEMBL10676810 0.79 KCNH2 (0.39) KCNH2
SCHEMBL1277062 0.76
SCHEMBL19458298 0.74 TP53 (0.33) KCNH2TP53GABRA1GABRB2
Iodide SCHEMBL28884004 0.73 SMN1; SMN2 (0.38) KCNH2
Hydrochloric Acid SCHEMBL8672192 0.73 SMN1; SMN2 (0.38) KCNH2
Bromide SCHEMBL27774766 0.73 SMN1; SMN2 (0.36) KCNH2
Water SCHEMBL22654522 0.73 ACHE (0.35) KCNH2
SCHEMBL10676821 0.70 TAAR1 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946442-B2 Foamed ionic compounds E I DU PONT DE NEMOURS AND COMPANY (US) 2015-02-03 US claimed
EP-1812382-B1 METHOD FOR PRODUCING POLYISOCYANATES BASF SE (DE) 2013-01-23 EP claimed
WO-2012130803-A1 METHOD FOR SEPARATING OFF HALOGENS FROM MIXTURES OF MATTER BAYER TECHNOLOGY SERVICES GMBH (DE) 2012-10-04 WO claimed
JP-4794561-B2 2011-10-19 JP claimed
US-7659430-B2 Method for separating hydrogen chloride and phosgene BASF AKTIENGESELLSCHAFT (DE) 2010-02-09 US claimed
EP-1789160-B1 METHOD FOR SEPARATING HYDROGEN CHLORIDE AND PHOSGENE BASF SE (DE) 2009-11-18 EP claimed
US-20090112017-A1 METHOD FOR PRODUCING POLYISOCYANATES BASF AKTIENGESSELLSCHAFT (DE) 2009-04-30 US claimed
US-20070293707-A1 Method for Separating Hydrogen Chloride and Phosgene BASF AKTIENGESELLSCHAFT (DE) 2007-12-20 US claimed
EP-1812382-A1 METHOD FOR PRODUCING POLYISOCYANATES BASF AKTIENGESELLSCHAFT (DE) 2007-08-01 EP claimed
EP-1789160-A1 METHOD FOR SEPARATING HYDROGEN CHLORIDE AND PHOSGENE BASF AKTIENGESELLSCHAFT (DE) 2007-05-30 EP claimed
EP-1663921-B1 METHOD FOR PRODUCING HALOALKANES FROM ALCOHOLS BASF AG (DE) 2007-05-02 EP claimed
US-20070055084-A1 Method for producing haloalkanes from alcohols BASF AKTIENGESELLSCHAFT (DE) 2007-03-08 US claimed
WO-2006048171-A1 METHOD FOR PRODUCING POLYISOCYANATES BASF AKTIENGESELLSCHAFT (DE) 2006-05-11 WO claimed
WO-2006029788-A1 METHOD FOR SEPARATING HYDROGEN CHLORIDE AND PHOSGENE BASF AKTIENGESELLSCHAFT (DE) 2006-03-23 WO claimed
US-20240034633-A1 PROCESS FOR PRODUCING PHOSGENE BY REACTION OF POLYCHLORINE ANIONS AND CARBON MONOXIDE COVESTRO DEUTSCHLAND AG (DE) 2024-02-01 US disclosed
US-20240025753-A1 PHOSGENE SYNTHESIS BY CONVERSION OF A GAS MIXTURE CONTAINING CHLORINE AND CARBON MONOXIDE ON AN ORGANIC CATALYST CONTAINING CHLORIDE ANIONS COVESTRO DEUTSCHLAND AG (DE) 2024-01-25 US disclosed
EP-3232455-B1 NONAQUEOUS ELECTROLYTE SOLUTION FOR ELECTRIC DOUBLE LAYER CAPACITORS OTSUKA CHEMICAL CO LTD (JP) 2023-10-25 EP disclosed
US-20040133058-A1 Ionic liquids as selective additives for separation of close-boiling or azeotropic mixtures BASF AKTIENGESELLSCHAFT (DE) 2004-07-08 US disclosed
EP-1372807-A2 IONIC LIQUIDS AS SELECTIVE ADDITIVES FOR THE SEPARATION OF CLOSE-BOILING OR AZEOTROPIC MIXTURES BASF AKTIENGESELLSCHAFT (DE) 2004-01-02 EP disclosed
WO-2002074718-A2 IONIC LIQUIDS AS SELECTIVE ADDITIVES FOR THE SEPARATION OF CLOSE-BOILING OR AZEOTROPIC MIXTURES BASF AKTIENGESELLSCHAFT (DE) 2002-09-26 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-20090112017-A1 METHOD FOR PRODUCING POLYISOCYANATES PGLS, INMT, PNMT KCNH2 862/4885TP53 1721/4885GABRA1 2987/4885
US-20040133058-A1 Ionic liquids as selective additives for separation of close-boiling or azeotropic mixtures KCNJ6, KCNN3, KCNN2 KCNH2 10/4885TP53 3608/4885GABRA1 309/4885
US-20070293707-A1 Method for Separating Hydrogen Chloride and Phosgene PSPH, SLC9B2, HVCN1 KCNH2 318/4885TP53 3094/4885GABRA1 2678/4885
US-20070055084-A1 Method for producing haloalkanes from alcohols ADH1C, HDHD5, ADH5 KCNH2 25/4885TP53 4433/4885GABRA1 1070/4885

“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.