SCHEMBL1487865

SCHEMBL1487865

C=CCn1cc[n+](CC=C)c1.CS(=O)(=O)[O-]

nearest known ligand 0.31

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 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 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
SCHEMBL5132375 0.88
Trifluoromethanesulfonic Acid SCHEMBL18815531 0.87
SCHEMBL87311 0.87 ALDH1A1 (0.30) ALDH1A1GAA
Bromide SCHEMBL1045353 0.85 ALDH1A1 (0.33) ALDH1A1GAA
Hydrochloric Acid SCHEMBL572630 0.85
Water SCHEMBL15361762 0.85
Iodide SCHEMBL2341576 0.85 ALDH1A1 (0.33) ALDH1A1GAA
SCHEMBL19857303 0.85
Bromide SCHEMBL30218911 0.85
Acetic Acid SCHEMBL3872537 0.84 ALDH1A1 (0.36) ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240052133-A1 CHEMICAL RECYLING OF PLASTICS USING IONIC LIQUIDS OR DEEP EUTECTIC SOLVENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-02-15 US claimed
WO-2024030678-A1 CHEMICAL RECYCLING OF PLASTICS USING IONIC LIQUIDS OR DEEP EUTECTIC SOLVENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-02-08 WO claimed
US-9862982-B2 Methods of hydrolyzing a cellulose using halophilic, thermostable and ionic liquids tolerant cellulases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-01-09 US claimed
US-9624482-B2 Thermophilic cellobiohydrolase SANDIA CORPORATION (US) 2017-04-18 US claimed
US-20170029856-A1 Useful halophilic, thermostable and ionic liquids tolerant cellulases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-02 US claimed
US-9403915-B2 Compositions and methods useful for ionic liquid treatment of biomass THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-08-02 US claimed
US-9157130-B2 Recovery of sugars from ionic liquid biomass liquor by solvent extraction SANDIA CORPORATION (US) 2015-10-13 US claimed
US-8790542-B2 Compositions and methods useful for ionic liquid treatment of biomass SANDIA CORPORATION (US) 2014-07-29 US claimed
US-20130023015-A1 Useful halophilic, thermostable and ionic liquids tolerant cellulases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-01-24 US claimed
WO-2012174459-A2 USE OF PRESSURE TO ENHANCE IONIC LIQUID PRETREATMENT OF BIOMASS SANDIA CORPORATION (US) 2012-12-20 WO claimed
US-20120315695-A1 Recovery of sugars from ionic liquid biomass liquor by solvent extraction SANDIA CORPORATION (US) 2012-12-13 US claimed
US-20110207182-A1 Novel thermophilic cellobiohydrolase SANDIA CORPORATION (US) 2011-08-25 US claimed
WO-2011041455-A1 RECOVERY OF SUGARS FROM IONIC LIQUID BIOMASS LIQUOR BY SOLVENT EXTRACTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-04-07 WO claimed
US-20240199512-A1 USE OF POLYAMINES IN THE PRETREATMENT OF BIOMASS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-06-20 US disclosed
US-12012429-B2 Renewable aromatics from lignocellulosic lignin NATIONAL TECHNOLOGY & ENGINEERING SOLUTIONS OF SANDIA, LLC (US) 2024-06-18 US disclosed
WO-2024064164-A1 METHODS AND COMPOSITIONS USEFUL FOR FRACTIONATING BIOMASS USING A SCHIFF-BASE IONIC LIQUID THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-03-28 WO disclosed
US-20110207182-A1 Novel thermophilic cellobiohydrolase SANDIA CORPORATION (US) 2011-08-25 US disclosed
WO-2011041455-A1 RECOVERY OF SUGARS FROM IONIC LIQUID BIOMASS LIQUOR BY SOLVENT EXTRACTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-04-07 WO disclosed
US-20110073805-A1 Novel compositions and methods useful for ionic liquid treatment of biomass THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-03-31 US disclosed
WO-2010124266-A2 THERMOSTABLE CELLULASES, AND MUTANTS THEREOF, CAPABLE OF HYDROLYZING CELLULOSE IN IONIC LIQUID THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-10-28 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-20240199512-A1 USE OF POLYAMINES IN THE PRETREATMENT OF BIOMASS SRM, SMS, MANBA KDM4E 678/4885ALDH1A1 965/4885GAA 227/4885
US-12012429-B2 Renewable aromatics from lignocellulosic lignin DCXR, ALG1, AGL KDM4E 239/4885ALDH1A1 1904/4885GAA 719/4885

“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.