SCHEMBL2125237

SCHEMBL2125237

[Na+].[O-]c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.64

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
ADORA3 known ✓ P0DMS8 1/20 0.35
THRB known ✓ P10828 1/20 0.35
ADORA2A known ✓ P29274 1/20 0.35
PDE3A known ✓ Q14432 1/20 0.35
ESR2 known ✓ Q92731 1/20 0.35
CA1 known ✓ P00915 1/20 0.32
CA2 known ✓ P00918 1/20 0.32
HSD17B10 Q99714 5/20 0.64
CYP3A4 P08684 5/20 0.64
RECQL P46063 3/20 0.64
HPGD P15428 3/20 0.64
TP53 P04637 3/20 0.64
MAPK1 P28482 3/20 0.64
KDM4E B2RXH2 2/20 0.64
MEN1 O00255 2/20 0.64
MAPT P10636 2/20 0.64
ALOX15 P16050 2/20 0.64
ALOX12 P18054 2/20 0.64
CASP1 P29466 2/20 0.64
CASP7 P55210 2/20 0.64

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
Potassium Ion SCHEMBL2810616 0.93 HSD17B10 (0.56) HSD17B10CYP3A4RECQLHPGDTP53
Lithium Ion SCHEMBL31616037 0.93 HSD17B10 (0.56) HSD17B10CYP3A4RECQLHPGDTP53
Bithionol SCHEMBL31349894 0.79 HPGD (1.00) HSD17B10CYP3A4RECQLHPGDTP53
Bithionol SCHEMBL636173 0.79 HPGD (1.00) HSD17B10CYP3A4RECQLHPGDTP53
SCHEMBL5933836 0.79 CYP3A4 (0.50) HSD17B10CYP3A4RECQLHPGDTP53
SCHEMBL5271615 0.75 CYP3A4 (0.55) HSD17B10CYP3A4RECQLHPGDTP53
SCHEMBL11798886 0.73 ALDH1A1 (0.58) HSD17B10CYP3A4RECQLHPGDTP53
SCHEMBL2937097 0.70 TSHR (0.67) HSD17B10CYP3A4RECQLHPGDTP53
SCHEMBL11224060 0.69 TSHR (0.57) HSD17B10CYP3A4RECQLHPGDTP53
Potassium Ion SCHEMBL5934205 0.67 CYP2A6 (0.45) HSD17B10CYP3A4RECQLHPGDTP53

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100260813-A1 Rodenticide Mixture BASF SE (DE) 2010-10-14 US claimed
US-20250024837-A1 PESTICIDE SYSTEM BANISH, MICHELE 2025-01-23 US disclosed
US-9481762-B2 Catalytic system for CO2/epoxide copolymerization SK INNOVATION CO., LTD. (KR) 2016-11-01 US disclosed
US-20150175743-A1 Catalytic System for CO2/Epoxide Copolymerization SK ENERGY CO., LTD. (KR) 2015-06-25 US disclosed
US-8987411-B2 Catalytic system for CO2/epoxide copolymerization SK INNOVATION CO., LTD. (KR) 2015-03-24 US disclosed
US-8981043-B2 Catalytic system for CO2/epoxide copolymerization SK INNOVATION CO., LTD. (KR) 2015-03-17 US disclosed
EP-2443131-B1 CATALYTIC SYSTEM FOR CARBON DIOXIDE/EPOXIDE COPOLYMERIZATION SK INNOVATION CO LTD (KR) 2014-05-21 EP disclosed
US-20130131308-A1 Catalytic System for Co2/Epoxide Copolymerization SK INNOVATION CO., LTD. (KR) 2013-05-23 US disclosed
EP-2443131-A2 CATALYTIC SYSTEM FOR CARBON DIOXIDE/EPOXIDE COPOLYMERIZATION SK Innovation Co. Ltd. (KR) 2012-04-25 EP disclosed
WO-2010147421-A2 CATALYTIC SYSTEM FOR CARBON DIOXIDE/EPOXIDE COPOLYMERIZATION SK ENERGY CO., LTD. (KR) 2010-12-23 WO disclosed
US-20100324260-A1 Catalytic System for CO2/Epoxide Copolymerization SK ENERGY CO., LTD. (KR) 2010-12-23 US disclosed
US-20100260813-A1 Rodenticide Mixture BASF SE (DE) 2010-10-14 US disclosed
US-20060276339-A1 Methods and compositions for increasing the efficacy of biologically-active ingredients BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2006-12-07 US disclosed
EP-0243038-B1 PREPARATION OF TRICHLOROPHENOL SCHERING AGROCHEMICALS LIMITED (GB) 1990-11-22 EP disclosed
EP-0243038-A1 Preparation of trichlorophenol SCHERING AGROCHEMICALS LIMITED (GB) 1987-10-28 EP disclosed
US-4299924-A IMPROVED RIGIDITY, HEAT RESISTANCE, AND IMPACT RESISTANCE TOYOTA JIDOSHA KOGYO KABUSHIKI KAISHA (JP) 1981-11-10 US disclosed
US-4078888-A 4-TOLYL DIIODOMETHYL SULFONE ABBOTT LABORATORIES (US) 1978-03-14 US disclosed
US-3931065-A POLYURETHANE-MODIFIED POLYISOCYANURATE FOAM AND A METHOD FOR THE PREPARATION THEREOF NISSHIN BOSEKI KABUSHIKI KAISHA (JA) 1976-01-06 US 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 (3 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-20060276339-A1 Methods and compositions for increasing the efficacy of biologically-active ingredients ENPP1, ENPP3, SMPD1 ADORA3 1399/4885THRB 4526/4885ADORA2A 1129/4885
US-20250024837-A1 PESTICIDE SYSTEM ACHE, PFAS, FPGS ADORA3 1595/4885THRB 4104/4885ADORA2A 1914/4885
US-20150175743-A1 Catalytic System for CO2/Epoxide Copolymerization CA12, CA2, CA13 ADORA3 2129/4885THRB 4682/4885ADORA2A 4435/4885

“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.