Water

Water

SCHEMBL4929925

C1=Cc2nc1cc1ccc(cc3ccc(cc4ccc2[nH]4)[nH]3)[nH]1.O

nearest known ligand 0.58

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 2)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.58
▸ STAT1 P42224 1/20 0.58

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
SCHEMBL51570 0.98 STAT3 (0.59) STAT3STAT1
SCHEMBL1641192 0.96 STAT3 (0.58) STAT3STAT1
SCHEMBL1639335 0.96 STAT3 (0.58) STAT3STAT1
SCHEMBL16594232 0.96 STAT3 (0.58) STAT3STAT1
SCHEMBL3240831 0.96 STAT3 (0.58) STAT3STAT1
SCHEMBL7125994 0.96 STAT3 (0.58) STAT3STAT1
Trimethylammonium SCHEMBL28785872 0.91 STAT3 (0.54) STAT3STAT1
SCHEMBL31513281 0.85 STAT3 (0.58) STAT3STAT1
SCHEMBL15498104 0.84 STAT3 (0.51) STAT3STAT1
SCHEMBL8177649 0.84 STAT3 (0.50) STAT3STAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11366386-B2 Patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-06-21 — — US disclosed
US-11231649-B2 Patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-01-25 — — US disclosed
EP-3572880-B1 PATTERNING PROCESS SHINETSU CHEMICAL CO (JP) 2021-05-12 — — EP disclosed
EP-3572878-B1 PATTERNING PROCESS SHINETSU CHEMICAL CO (JP) 2020-12-30 — — EP disclosed
EP-3572880-A1 PATTERNING PROCESS Shin-Etsu Chemical Co., Ltd. (JP) 2019-11-27 — — EP disclosed
US-20190354016-A1 PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-11-21 — — US disclosed
US-20190354017-A1 PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-11-21 — — US disclosed
US-10109485-B2 Silicon-containing condensate, composition for forming a silicon-containing resist under layer film, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-10-23 — — US disclosed
US-9971245-B2 Silicon-containing polymer, silicon-containing compound, composition for forming a resist under layer film, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-05-15 — — US disclosed
US-20170154766-A1 SILICON-CONTAINING CONDENSATE, COMPOSITION FOR FORMING A SILICON-CONTAINING RESIST UNDER LAYER FILM, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-06-01 — — US disclosed
US-20130056653-A1 POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-03-07 — — US disclosed
US-20130045601-A1 COMPOSITION FOR FORMING A SILICON-CONTAINING RESIST UNDERLAYER FILM AND PATTERNING PROCESS USING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-02-21 — — US disclosed
EP-2560049-A2 Composition for forming a silicon-containing resist underlayer film and patterning processing using the same Shin-Etsu Chemical Co., Ltd. (JP) 2013-02-20 — — EP disclosed
US-20130005150-A1 COMPOSITION FOR FORMING RESIST UNDERLAYER FILM AND PATTERNING PROCESS USING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-01-03 — — US disclosed
EP-2540780-A1 Composition for forming resist underlayer film and patterning process using the same Shin-Etsu Chemical Co., Ltd. (JP) 2013-01-02 — — EP disclosed
US-20080302268-A1 INK FOR INK JET RECORDING, INK JET RECORDING METHOD, INK CARTRIDGE AND INK JET RECORDING APPARATUS ARITA HITOSHI 2008-12-11 — — US disclosed
US-7374608-B2 Ink for ink jet recording, ink jet recording method, ink cartridge and ink jet recording apparatus RICOH COMPANY, LTD. (JP) 2008-05-20 — — US disclosed
US-20050168552-A1 Ink for ink jet recording, ink jet recording method, ink cartridge and ink jet recording apparatus ARITA HITOSHI (JP) 2005-08-04 — — US disclosed
US-6899751-B2 Ink for ink jet recording, ink jet recording method, ink cartridge and ink jet recording apparatus RICOH COMPANY, LTD. (JP) 2005-05-31 — — US disclosed
US-20020083866-A1 Ink for ink jet recording, ink jet recording method, ink cartridge and ink jet recording apparatus RICOH COMPANY, LTD. (JP) 2002-07-04 — — 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 (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-11366386-B2 Patterning process FEM1B, EGLN1, TET1 STAT3 4437/4885STAT1 4790/4885
US-20190354017-A1 PATTERNING PROCESS FEM1B, EGLN1, TET1 STAT3 4437/4885STAT1 4790/4885

“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.

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