SCHEMBL3190233

SCHEMBL3190233

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

nearest known ligand 0.48

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 7)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 10/20 0.48
HTT P42858 2/20 0.48
SLC22A1 O15245 1/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
LSS P48449 1/20 0.44
KMT2A Q03164 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
SCHEMBL10968152 1.00 DNM1 (0.48) DNM1HTTSLC22A1CA1CA2
Sulfuric Acid SCHEMBL2524035 0.93 DNM1 (0.50) DNM1HTTSLC22A1LSSKMT2A
Sulfuric Acid SCHEMBL4151448 0.93 DNM1 (0.50) DNM1HTTSLC22A1LSSKMT2A
Sulfuric Acid SCHEMBL27681657 0.93 DNM1 (0.50) DNM1HTTSLC22A1LSSKMT2A
SCHEMBL331461 0.91 DNM1 (0.48) DNM1HTTSLC22A1LSSKMT2A
SCHEMBL330578 0.91 DNM1 (0.48) DNM1HTTSLC22A1LSSKMT2A
SCHEMBL332291 0.91 DNM1 (0.48) DNM1HTTSLC22A1LSSKMT2A
SCHEMBL330697 0.91 DNM1 (0.48) DNM1HTTSLC22A1LSSKMT2A
Tributylmethylammonium SCHEMBL1618263 0.91 SLC22A1 (0.39) DNM1HTTSLC22A1CA1CA2
Sulfuric Acid SCHEMBL6257863 0.89 LSS (0.48) DNM1HTTSLC22A1LSSKMT2A

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 34 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-20090112017-A1 METHOD FOR PRODUCING POLYISOCYANATES BASF AKTIENGESSELLSCHAFT (DE) 2009-04-30 US claimed
CN-101056848-A Process for preparing polyisocyanates BASF AG (DE) 2007-10-17 CN claimed
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
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
EP-3231818-B1 TWO-PART CURABLE COMPOSITION TOAGOSEI CO LTD (JP) 2019-08-14 EP disclosed
EP-2780387-B1 POLYMERIZABLE COMPOSITION, OPTICAL ARTICLE OBTAINED THEREFROM AND METHOD FOR THE PRODUCTION OF SAID OPTICAL ARTICLE MITSUI CHEMICALS INC (JP) 2018-11-07 EP disclosed
US-9994662-B2 Two-part curable composition TOAGOSEI CO., LTD. (JP) 2018-06-12 US disclosed
US-20140327869-A1 POLYMERIZABLE COMPOSITION, OPTICAL ARTICLE OBTAINED THEREFROM AND METHOD FOR THE PRODUCTION OF SAID OPTICAL ARTICLE MITSUI CHEMICALS, INC. 2014-11-06 US disclosed
EP-2780387-A1 POLYMERIZABLE COMPOSITION, OPTICAL ARTICLE OBTAINED THEREFROM AND METHOD FOR THE PRODUCTION OF SAID OPTICAL ARTICLE Mitsui Chemicals, Inc. (JP) 2014-09-24 EP disclosed
WO-2013073194-A1 POLYMERIZABLE COMPOSITION, OPTICAL ARTICLE OBTAINED THEREFROM AND METHOD FOR THE PRODUCTION OF SAID OPTICAL ARTICLE MITSUI CHEMICALS, INC. (JP) 2013-05-23 WO disclosed
US-7897806-B2 Reacting primary amines with phosgene in ionic liquid as solvent BASF AKTIENGESELLSCHAFT (DE) 2011-03-01 US disclosed
US-7659430-B2 Method for separating hydrogen chloride and phosgene BASF AKTIENGESELLSCHAFT (DE) 2010-02-09 US disclosed
CN-100577638-C Process for preparing polyisocyanates BASF AG 2010-01-06 CN disclosed
US-20090112017-A1 METHOD FOR PRODUCING POLYISOCYANATES BASF AKTIENGESSELLSCHAFT (DE) 2009-04-30 US disclosed
US-20070293707-A1 Method for Separating Hydrogen Chloride and Phosgene BASF AKTIENGESELLSCHAFT (DE) 2007-12-20 US disclosed
CN-101056848-A Process for preparing polyisocyanates BASF AG (DE) 2007-10-17 CN 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 DNM1 3850/4885HTT 1805/4885SLC22A1 3135/4885
US-20070293707-A1 Method for Separating Hydrogen Chloride and Phosgene PSPH, SLC9B2, HVCN1 DNM1 4070/4885HTT 569/4885SLC22A1 776/4885

“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.