Water

Water

SCHEMBL227534

O.O.OC1CC(O)CC(O)C1

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

The experimentally established mechanism targets of Water. 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
LMNA P02545 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL1672698 0.94
SCHEMBL1983990 0.94 CYP2C9 (0.39) LMNACYP2C9TSHR
SCHEMBL19645307 0.94
SCHEMBL191998 0.94
SCHEMBL29151913 0.94 CYP2C9 (0.39) LMNACYP2C9TSHR
SCHEMBL285299 0.94
SCHEMBL13889160 0.94
SCHEMBL351728 0.94
SCHEMBL36515 0.94
SCHEMBL5351420 0.94

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9587147-B2 Pressure-sensitive adhesive compositions, polarizers and liquid crystal displays comprising the same LG CHEM, LTD. (KR) 2017-03-07 US claimed
EP-2230287-B1 PRESSURE-SENSITIVE ADHESIVE COMPOSITIONS, POLARIZERS AND LIQUID CRYSTAL DISPLAYS COMPRISING THE SAME LG CHEMICAL LTD (KR) 2013-06-12 EP claimed
US-20110032455-A1 PRESSURE-SENSITIVE ADHESIVE COMPOSITIONS, POLARIZERS AND LIQUID CRYSTAL DISPLAYS COMPRISING THE SAME LG CHEM, LTD. (KR) 2011-02-10 US claimed
EP-2230287-A2 PRESSURE-SENSITIVE ADHESIVE COMPOSITIONS, POLARIZERS AND LIQUID CRYSTAL DISPLAYS COMPRISING THE SAME LG Chem, Ltd. (KR) 2010-09-22 EP claimed
US-9587147-B2 Pressure-sensitive adhesive compositions, polarizers and liquid crystal displays comprising the same LG CHEM, LTD. (KR) 2017-03-07 US disclosed
US-9011734-B2 Ligand exchange thermochromic, (LETC), systems PLEOTINT, L.L.C. (US) 2015-04-21 US disclosed
EP-2230287-B1 PRESSURE-SENSITIVE ADHESIVE COMPOSITIONS, POLARIZERS AND LIQUID CRYSTAL DISPLAYS COMPRISING THE SAME LG CHEMICAL LTD (KR) 2013-06-12 EP disclosed
EP-2082005-B9 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS PLEOTINT LLC (US) 2013-05-22 EP disclosed
US-8431045-B2 Ligand exchange thermochromic systems and high ε ligands for same PLEOTINT, L.L.C. (US) 2013-04-30 US disclosed
EP-2540321-A1 Bis Tridentate W3O2 Clusters for X-Ray imaging Bayer Intellectual Property GmbH (DE) 2013-01-02 EP disclosed
US-8324222-B2 Cyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-04 US disclosed
US-20120292581-A1 LIGAND EXCHANGE THERMOCHROMIC SYSTEMS AND HIGH E LIGANDS FOR SAME PLEOTINT, LLC (US) 2012-11-22 US disclosed
EP-1487789-A2 IMPROVEMENTS IN PHARMACEUTICAL COMPOSITIONS Charterhouse Therapeutics Ltd. (GB) 2004-12-22 EP disclosed
EP-1456163-A2 IMPROVEMENTS IN PHARMACEUTICAL COMPOSITIONS Charterhouse Therapeutics Limited (GB) 2004-09-15 EP disclosed
US-20030219404-A1 Branched polyalkylene glycols KYOWA HAKKO KIRIN CO., LTD. (JP) 2003-11-27 US disclosed
WO-2003082813-A2 IMPROVEMENTS IN PHARMACEUTICAL COMPOSITIONS CHARTERHOUSE THERAPEUTICS LIMITED (GB) 2003-10-09 WO disclosed
WO-2003051807-A2 IMPROVEMENTS IN PHARMACEUTICAL COMPOSITIONS CHARTERHOUSE THERAPEUTICS LIMITED (GB) 2003-06-26 WO disclosed
US-20030035917-A1 Image making medium HYMAN SYDNEY (US) 2003-02-20 US disclosed
EP-1270642-A1 BRANCHED POLYALKYLENE GLYCOLS KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-01-02 EP disclosed
WO-2001030745-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-03 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 (1 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-20030219404-A1 Branched polyalkylene glycols LNPEP, ANPEP, BCAT1 LMNA 696/4885CYP2C9 4377/4885TSHR 1556/4885

“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.