SCHEMBL345585

SCHEMBL345585

C=C(C)C(=O)OCCCS(=O)(=O)[O-].[Na+]

nearest known ligand 0.53

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 20)

geneUniProtsupporting neighboursconfidence
THRB known ✓ P10828 1/20 0.46
CA2 known ✓ P00918 1/20 0.34
TSHR P16473 4/20 0.53
POLB P06746 2/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 5/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
THPO P40225 1/20 0.36
HBB P68871 1/20 0.36
PMP22 Q01453 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BBOX1 O75936 2/20 0.34
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL23607561 0.98 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT
Lithium Ion SCHEMBL16628565 0.96 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
Potassium Ion SCHEMBL379532 0.96 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL16628435 0.96 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL16628478 0.96 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL16628613 0.96 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL8746515 0.95 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28732492 0.94 TSHR (0.51) TSHRTHRBPOLBAPEX1HTT
SCHEMBL18140257 0.93 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL29217626 0.93 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230100363-A1 MOLECULARLY IMPRINTED POLYMERS FOR EXTRACTION OF CANNABINOIDS AND USES THEREOF ORCA HOLDINGS, LLC 2023-03-30 US claimed
CN-115117442-A Single-ion gel polymer electrolyte, preparation and application thereof 华中科技大学 2022-09-27 CN claimed
US-20220177666-A1 MOLECULARLY IMPRINTED POLYMERS FOR EXTRACTION OF CANNABINOIDS AND USES THEREOF ORCA HOLDINGS, LLC 2022-06-09 US claimed
EP-3938359-A1 MOLECULARLY IMPRINTED POLYMERS FOR EXTRACTION OF CANNABINOIDS AND USES THEREOF 6th Wave Innovations Corp. (US) 2022-01-19 EP claimed
WO-2020186077-A1 MOLECULARLY IMPRINTED POLYMERS FOR EXTRACTION OF CANNABINOIDS AND USES THEREOF 6th Wave Innovations Corp. (US) 2020-09-17 WO claimed
US-9958797-B1 Toner process comprising synthesizing amphiphilic block copolymers via emulsion polymerization XEROX CORPORATION (US) 2018-05-01 US claimed
EP-2705390-B1 MEDICAL DEVICES HAVING HOMOGENEOUS CHARGE DENSITY AND METHODS FOR MAKING SAME JOHNSON & JOHNSON VISION CARE (US) 2016-07-20 EP claimed
EP-1521846-B1 SERRS REACTIVE PARTICLES UNIV STRATHCLYDE (GB) 2013-03-06 EP claimed
US-20120125346-A1 ENDOTRACHEAL CUFF AND TECHNIQUE FOR USING THE SAME NELLCOR PURITAN BENNETT LLC (US) 2012-05-24 US claimed
JP-4754213-B2 2011-08-24 JP claimed
US-20050130163-A1 Serrs reactive particles STRATHCLYDE, UNIVERSITY OF (GB) 2005-06-16 US claimed
EP-1521846-A2 SERRS REACTIVE PARTICLES UNIVERSITY OF STRATHCLYDE (GB) 2005-04-13 EP claimed
EP-1509302-A1 SOLID MYCOCTOXIN CARRIERS Austria Wirtschaftsservice Gesellschaft mit beschränkter Haftung (AT) 2005-03-02 EP claimed
WO-2004007767-A2 SERRS REACTIVE PARTICLES UNIVERSITY OF STRATHCLYDE (GB) 2004-01-22 WO claimed
WO-2003101580-A1 SOLID MYCOCTOXIN CARRIERS Austria Wirtschaftsservice Gesellschaft mit beschränkter Haftung (AT) 2003-12-11 WO claimed
US-4678819-A CASTING POLYMERIZATION MITSUBISHI RAYON CO., LTD. (JP) 1987-07-07 US claimed
US-4612325-A 5-Aroyl-6-alkylthio-1,2-dihydro-3H-pyrrolo(1,2-A)pyrrole-1-carboxylic acids and use thereof as analgesics and anti-inflammatories SYNTEX (U.S.A) INC. (US) 1986-09-16 US claimed
EP-0096583-A2 5-Aroyl-1,2-dihydro-3H-pyrrolo 1,2-a pyrrole-1-carboxylic acids and derivatives thereof, processes for their preparation, and intermediates therefor SYNTEX (U.S.A.) INC. (US) 1983-12-21 EP claimed
US-4011201-A POLYMERS OF MONOMERS CONTAINING ACTIVE METHYLENE GROUPS AND OTHER ETHYLENICALLY UNSATURATED MONOMERS EASTMAN KODAK COMPANY (US) 1977-03-08 US claimed
US-3939130-A Polymers of monomers containing active methylene groups and other ethylenically unsaturated monomers INDICON INC. (US) 1976-02-17 US claimed

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-20230100363-A1 MOLECULARLY IMPRINTED POLYMERS FOR EXTRACTION OF CANNABINOIDS AND USES THEREOF CNR2, CNR1, CDIPT THRB 3872/4885CA2 2722/4885TSHR 4448/4885
US-20220177666-A1 MOLECULARLY IMPRINTED POLYMERS FOR EXTRACTION OF CANNABINOIDS AND USES THEREOF CNR2, CNR1, CDIPT THRB 3872/4885CA2 2722/4885TSHR 4448/4885

“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.