Water

Water

SCHEMBL8366271

NC(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.O

nearest known ligand 0.61

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 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 1/20 0.61
HTR2A known ✓ P28223 1/20 0.42
FDPS known ✓ P14324 1/20 0.41
TAAR1 Q96RJ0 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.54
HIF1A Q16665 1/20 0.54
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LOXL2 Q9Y4K0 2/20 0.46
LMNA P02545 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAOB P27338 3/20 0.44
MAOA P21397 2/20 0.44
CALM1 P0DP23 1/20 0.43
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41

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
SCHEMBL583541 0.97 TAAR1 (0.64) TAAR1SLC6A2SMN1; SMN2HIF1ACYP1A2
Bromide SCHEMBL5087806 0.94 TAAR1 (0.61) TAAR1SLC6A2SMN1; SMN2HIF1ACYP1A2
Hydrochloric Acid SCHEMBL5087218 0.94 TAAR1 (0.61) TAAR1SLC6A2SMN1; SMN2HIF1ACYP1A2
Iodide SCHEMBL5092148 0.94 TAAR1 (0.61) TAAR1SLC6A2SMN1; SMN2HIF1ACYP1A2
SCHEMBL29342 0.84 TAAR1 (0.56) TAAR1SLC6A2SMN1; SMN2HIF1ACYP1A2
SCHEMBL10503241 0.82 TAAR1 (0.67) TAAR1SLC6A2SMN1; SMN2HIF1ACYP1A2
SCHEMBL2351133 0.82 KDM4E (0.57) TAAR1SLC6A2SMN1; SMN2HIF1ACYP1A2
SCHEMBL17714576 0.82 TAAR1 (0.54) TAAR1SLC6A2SMN1; SMN2HIF1ACYP1A2
Hydrochloric Acid SCHEMBL11047140 0.82 TAAR1 (0.54) TAAR1SLC6A2SMN1; SMN2HIF1ACYP1A2
SCHEMBL465335 0.82 KDM4E (0.57) TAAR1SLC6A2SMN1; SMN2HIF1ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12599937-B2 Water-based, high-efficiency chemical reagent for substrate surface particle removal APPLIED MATERIALS, INC. (US) 2026-04-14 US disclosed
US-12481218-B2 Treatment liquid, method for washing substrate, and method for removing resist FUJIFILM CORPORATION (JP) 2025-11-25 US disclosed
US-12386265-B2 Pattern forming method and method for manufacturing electronic device FUJIFILM CORPORATION (JP) 2025-08-12 US disclosed
US-20250235900-A1 WATER-BASED, HIGH-EFFICIENCY CHEMICAL REAGENT FOR SUBSTRATE SURFACE PARTICLE REMOVAL APPLIED MATERIALS, INC. 2025-07-24 US disclosed
US-12276915-B2 Treatment liquid and treatment method FUJIFILM CORPORATION (JP) 2025-04-15 US disclosed
US-12097996-B2 Container, method for manufacturing container, and chemical liquid storage body FUJIFILM CORPORATION (JP) 2024-09-24 US disclosed
US-20240295822-A1 PATTERN FORMING METHOD AND METHOD FOR MANUFACTURING ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2024-09-05 US disclosed
US-20240231237-A9 TREATMENT LIQUID, METHOD FOR WASHING SUBSTRATE, AND METHOD FOR REMOVING RESIST FUJIFILM CORPORATION (JP) 2024-07-11 US disclosed
US-12013644-B2 Method for manufacturing electronic device FUJIFILM CORPORATION (JP) 2024-06-18 US disclosed
US-20240134284-A1 TREATMENT LIQUID, METHOD FOR WASHING SUBSTRATE, AND METHOD FOR REMOVING RESIST FUJIFILM CORPORATION (JP) 2024-04-25 US disclosed
US-20190025702-A1 TREATMENT LIQUID FOR MANUFACTURING SEMICONDUCTOR AND PATTERN FORMING METHOD FUJIFILM CORPORATION (JP) 2019-01-24 US disclosed
US-5976649-A Cellulosic casings which are organometallic solvent seamed KRAFT FOODS, INC. (US) 1999-11-02 US disclosed
US-5874137-A Organometallic solvent seaming of cellulosic materials KRAFT FOODS, INC. (US) 1999-02-23 US disclosed
US-5690777-A Seamed cellulosic materials using organometallic solvents KRAFT FOODS, INC. (US) 1997-11-25 US disclosed
US-5658414-A Organometallic solvent seaming of cellulosic materials KRAFT FOODS, INC. (US) 1997-08-19 US disclosed
EP-0779324-A2 Organometallic solvent seaming of cellulosic materials KRAFT FOODS, INC. (US) 1997-06-18 EP disclosed
EP-0729704-A1 Seamed cellulosic materials using organometallic solvents KRAFT FOODS, INC. (US) 1996-09-04 EP disclosed
US-4169853-A HYDROGENATION, CATALYST SELECTIVITY TEXACO DEVELOPMENT CORPORATION (US) 1979-10-02 US disclosed
US-4072756-A Tricyclo piperidino ketones and soporific compositions thereof SANDOZ LTD. (CH) 1978-02-07 US disclosed
US-3954684-A QUATERNARY AMMONIUM SALT CATALYSTTRIMERIZATION OF POLYISOCYANATE THE UPJOHN COMPANY (US) 1976-05-04 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 (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-12599937-B2 Water-based, high-efficiency chemical reagent for substrate surface particle removal STUB1, CD2, EPCAM SLC6A2 3222/4885HTR2A 797/4885FDPS 4701/4885

“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.