SCHEMBL330474

SCHEMBL330474

CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.CS(=O)(=O)[O-]

nearest known ligand 0.50

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.50
DNM1 Q05193 10/20 0.48
HTT P42858 2/20 0.48
SLC22A1 O15245 1/20 0.46
KMT2A Q03164 1/20 0.44
APAF1 O14727 1/20 0.44
HSP90AA1 P07900 1/20 0.44
RAD52 P43351 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL330762 1.00 LSS (0.50) LSSDNM1HTTSLC22A1KMT2A
SCHEMBL10968148 1.00 LSS (0.50) LSSDNM1HTTSLC22A1KMT2A
SCHEMBL1815762 1.00 LSS (0.50) LSSDNM1HTTSLC22A1KMT2A
SCHEMBL330855 1.00 LSS (0.50) LSSDNM1HTTSLC22A1KMT2A
Sulfuric Acid SCHEMBL29702465 0.93 LSS (0.52) LSSDNM1HTTSLC22A1KMT2A
Sulfuric Acid SCHEMBL29702571 0.93 LSS (0.52) LSSDNM1HTTSLC22A1KMT2A
Sulfuric Acid SCHEMBL29702366 0.93 LSS (0.52) LSSDNM1HTTSLC22A1KMT2A
Sulfuric Acid SCHEMBL2995826 0.93 LSS (0.52) LSSDNM1HTTSLC22A1KMT2A
Sulfuric Acid SCHEMBL4151447 0.93 LSS (0.52) LSSDNM1HTTSLC22A1KMT2A
Sulfuric Acid SCHEMBL31472472 0.93 LSS (0.52) LSSDNM1HTTSLC22A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812382-B1 METHOD FOR PRODUCING POLYISOCYANATES BASF SE (DE) 2013-01-23 EP claimed
US-20100016517-A1 POLYMERIZATION CATALYST FOR POLYTHIOURETHANE-BASED OPTICAL MATERIAL, POLYMERIZABLE COMPOSITION CONTAINING THE CATALYST, OPTICAL MATERIAL OBTAINED FROM THE COMPOSITION, AND METHOD FOR PREPARING THE OPTICAL MATERIAL MITSUI CHEMICALS, INC (JP) 2010-01-21 US claimed
EP-2116558-A1 POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYMERIZABLE COMPOSITION CONTAINING THE CATALYST, OPTICAL MATERIAL OBTAINED FROM THE COMPOSITION, AND METHOD FOR PRODUCING THE OPTICAL MATERIAL Mitsui Chemicals, Inc. (JP) 2009-11-11 EP claimed
US-20090112017-A1 METHOD FOR PRODUCING POLYISOCYANATES BASF AKTIENGESSELLSCHAFT (DE) 2009-04-30 US claimed
EP-1812382-A1 METHOD FOR PRODUCING POLYISOCYANATES BASF AKTIENGESELLSCHAFT (DE) 2007-08-01 EP claimed
WO-2006048171-A1 METHOD FOR PRODUCING POLYISOCYANATES BASF AKTIENGESELLSCHAFT (DE) 2006-05-11 WO claimed
EP-3527639-B1 A METHOD FOR BONDING A THERMOPLASTIC MATERIAL BY MICROWAVE-IRRADIATION PROIONIC GMBH (AT) 2021-09-08 EP disclosed
EP-3042939-B1 ADHESIVE COMPOSITION TOAGOSEI CO LTD (JP) 2021-06-23 EP disclosed
CN-109415602-B 2-cyanoacrylate-based adhesive composition 东亚合成株式会社 2021-05-25 CN disclosed
US-10793749-B2 2-cyanoacrylate-based adhesive composition TOAGOSEI CO., LTD. (JP) 2020-10-06 US disclosed
EP-3042933-B1 CURABLE RESIN COMPOSITION TOAGOSEI CO LTD (JP) 2020-09-30 EP disclosed
WO-2020071553-A1 ADHESIVE COMPOSITION FOR ASSEMBLING SPEAKER, METHOD FOR ASSEMBLING SPEAKER, AND SPEAKER 東亞合成株式会社 2020-04-09 WO disclosed
EP-2896668-B1 2-CYANOACRYLATE-BASED ADHESIVE COMPOSITION TOAGOSEI CO LTD (JP) 2019-11-13 EP disclosed
WO-2009013062-A1 PROCESS FOR THE SYNTHESIS OF CARBAMATES USING CO2 HUNTSMAN INTERNATIONAL LLC (US) 2009-01-29 WO disclosed
EP-2011782-A1 Process for the synthesis of carbamates using co2 HUNTSMAN INTERNATIONAL LLC (US) 2009-01-07 EP disclosed
US-20070293707-A1 Method for Separating Hydrogen Chloride and Phosgene BASF AKTIENGESELLSCHAFT (DE) 2007-12-20 US disclosed
EP-1812382-A1 METHOD FOR PRODUCING POLYISOCYANATES BASF AKTIENGESELLSCHAFT (DE) 2007-08-01 EP disclosed
EP-1789160-A1 METHOD FOR SEPARATING HYDROGEN CHLORIDE AND PHOSGENE BASF AKTIENGESELLSCHAFT (DE) 2007-05-30 EP disclosed
WO-2006048171-A1 METHOD FOR PRODUCING POLYISOCYANATES BASF AKTIENGESELLSCHAFT (DE) 2006-05-11 WO disclosed
WO-2006029788-A1 METHOD FOR SEPARATING HYDROGEN CHLORIDE AND PHOSGENE BASF AKTIENGESELLSCHAFT (DE) 2006-03-23 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-20090112017-A1 METHOD FOR PRODUCING POLYISOCYANATES PGLS, INMT, PNMT LSS 21/4885DNM1 3850/4885HTT 1805/4885
US-20070293707-A1 Method for Separating Hydrogen Chloride and Phosgene PSPH, SLC9B2, HVCN1 LSS 713/4885DNM1 4070/4885HTT 569/4885

“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.