Water

Water

SCHEMBL188047

CCc1ccc(N)c(CC)c1CC.O

nearest known ligand 0.44

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 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
GABRA1 P14867 2/20 0.31
GABRB2 P47870 2/20 0.31
CTRC Q99895 1/20 0.30

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
SCHEMBL396164 0.98 POLB (0.41) POLBALDH1A1MAPTHTTNOS3
Iodide SCHEMBL5092606 0.95 POLB (0.40) POLBALDH1A1MAPTHTTNOS3
SCHEMBL29043862 0.95 POLB (0.40) POLBALDH1A1MAPTHTTNOS3
Bromide SCHEMBL16928609 0.95 POLB (0.40) POLBALDH1A1MAPTHTTNOS3
Hydrochloric Acid SCHEMBL233673 0.95 POLB (0.40) POLBALDH1A1MAPTHTTNOS3
Bromide SCHEMBL5088452 0.95 POLB (0.40) POLBALDH1A1MAPTHTTNOS3
Hydrochloric Acid SCHEMBL5510042 0.95 POLB (0.40) POLBALDH1A1MAPTHTTNOS3
Ethylene SCHEMBL28200619 0.93 POLB (0.39) POLBALDH1A1MAPTHTTNOS3
Bicarbonate SCHEMBL21957733 0.89 ALDH1A1 (0.37) POLBALDH1A1MAPTHTTGABRA1
Oxalic Acid SCHEMBL21957810 0.87 ALDH1A1 (0.36) POLBALDH1A1MAPTHTTGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119923173-B N-type doping method of organic semiconductor and application thereof 宁波天璇新材料科技有限公司 2025-06-10 CN claimed
CN-119923173-A N-type doping method of organic semiconductor and application thereof 宁波天璇新材料科技有限公司 2025-05-02 CN claimed
US-7727718-B2 Reagents for storage and preparation of samples for DNA analysis MOLECULAR RESEARCH CENTER, INC. (US) 2010-06-01 US claimed
EP-1833983-A1 REAGENTS AND METHODS FOR STORAGE AND PROCESSING OF BIOLOGICAL SAMPLES FOR DNA ANALYSIS Molecular Research Center, Inc. (US) 2007-09-19 EP claimed
WO-2006073497-A1 REAGENTS AND METHODS FOR STORAGE AND PROCESSING OF BIOLOGICAL SAMPLES FOR DNA ANALYSIS MOLECULAR RESEARCH CENTER, INC. (US) 2006-07-13 WO claimed
US-20060147944-A1 Reagents and methods for storage and processing of biological samples for DNA analysis MOLECULAR RESEARCH CENTER, INC. 2006-07-06 US claimed
CN-122037155-A Hollow container and method for producing polycarbonate resin 三菱化学株式会社 2026-05-15 CN disclosed
US-20260118767-A1 REVERSE PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2026-04-30 US disclosed
EP-2371877-B1 POLYCARBONATE RESIN, POLYCARBONATE RESIN COMPOSITION, OPTICAL FILM, AND POLYCARBONATE RESIN MOLDED ARTICLE MITSUBISHI CHEM CORP (JP) 2026-04-29 EP disclosed
US-12599937-B2 Water-based, high-efficiency chemical reagent for substrate surface particle removal APPLIED MATERIALS, INC. (US) 2026-04-14 US disclosed
US-20260098129-A1 THERMOPLASTIC RESIN AND MOLDED BODY CONTAINING THERMOPLASTIC RESIN MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2026-04-09 US disclosed
US-20260071030-A1 THERMOPLASTIC RESIN, MOLDED BODY CONTAINING THERMOPLASTIC RESIN, AND OPTICAL LENS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2026-03-12 US disclosed
US-20260062520-A1 THERMOPLASTIC RESIN AND MOLDED OBJECT INCLUDING THERMOPLASTIC RESIN MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2026-03-05 US disclosed
EP-0427392-B1 Improved method of casting a reactive metal against a surface formed from an improved slurry containing yttria PCC AIRFOILS INC (US) 1995-05-17 EP disclosed
US-5324790-A Esterification of carboxylate containing polymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-06-28 US disclosed
WO-1994007925-A1 ESTERIFICATION OF CARBOXYLATE CONTAINING POLYMERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-04-14 WO disclosed
US-5221336-A Slurry comprising water, binder, yttria, source of hydroxyl ions to prevent gelation PCC AIRFOILS, INC. (US) 1993-06-22 US disclosed
EP-0427392-A2 Improved method of casting a reactive metal against a surface formed from an improved slurry containing yttria PCC Airfoils, Inc. (US) 1991-05-15 EP disclosed
US-4947927-A CONTAINING HYDROXYL COMPOUND PCC AIRFOILS, INC. (US) 1990-08-14 US disclosed
US-4209643-A Preparation of acetals ETHYL CORPORATION (US) 1980-06-24 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 (5 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-20260062520-A1 THERMOPLASTIC RESIN AND MOLDED OBJECT INCLUDING THERMOPLASTIC RESIN RER1, PUF60, SEM1 POLB 2272/4885ALDH1A1 116/4885MAPT 1844/4885
US-20260071030-A1 THERMOPLASTIC RESIN, MOLDED BODY CONTAINING THERMOPLASTIC RESIN, AND OPTICAL LENS DERL1, WDR1, RIF1 POLB 4187/4885ALDH1A1 521/4885MAPT 1049/4885
US-20260118767-A1 REVERSE PATTERNING PROCESS EFNA1, EPHA4, ETV6 POLB 850/4885ALDH1A1 4452/4885MAPT 2567/4885
US-20260098129-A1 THERMOPLASTIC RESIN AND MOLDED BODY CONTAINING THERMOPLASTIC RESIN RER1, EIF2AK1, RIOK1 POLB 3500/4885ALDH1A1 46/4885MAPT 3531/4885
US-12599937-B2 Water-based, high-efficiency chemical reagent for substrate surface particle removal STUB1, CD2, EPCAM POLB 1626/4885ALDH1A1 528/4885MAPT 3167/4885

“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.