Water

Water

SCHEMBL187705

CCCCc1ccc(N)c(CCCC)c1CCCC.O

nearest known ligand 0.47

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
MEN1 known ✓ O00255 1/20 0.34
ALOX5 known ✓ P09917 1/20 0.34
SKP2 Q13309 1/20 0.47
TYR P14679 3/20 0.40
TLR8 Q9NR97 2/20 0.38
CTRC Q99895 1/20 0.37
HTT P42858 2/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NOS2 P35228 2/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL1239687 0.98 SKP2 (0.48) SKP2TYRTLR8CTRCHTT
Hydrochloric Acid SCHEMBL4364768 0.96 SKP2 (0.47) SKP2TYRTLR8CTRCHTT
Hydrochloric Acid SCHEMBL7642029 0.96 SKP2 (0.47) SKP2TYRTLR8CTRCHTT
Bromide SCHEMBL5091368 0.96 SKP2 (0.47) SKP2TYRTLR8CTRCHTT
Iodide SCHEMBL5087267 0.96 SKP2 (0.47) SKP2TYRTLR8CTRCHTT
SCHEMBL29193291 0.92 TYR (0.46) SKP2TYRTLR8HTTMEN1
SCHEMBL2400391 0.92 TYR (0.44) SKP2TYRTLR8HTTMEN1
SCHEMBL2400771 0.90 TYR (0.47) SKP2TYRTLR8HTTHPGD
SCHEMBL5424900 0.90 TYR (0.47) SKP2TYRTLR8HTTHPGD
SCHEMBL1704787 0.90 TYR (0.47) SKP2TYRTLR8HTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122037155-A Hollow container and method for producing polycarbonate resin 三菱化学株式会社 2026-05-15 CN 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-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-4129965-B1 THERMOPLASTIC RESIN HAVING CARBONATE BOND MITSUBISHI CHEM CORP (JP) 2025-12-17 EP disclosed
EP-4631995-A1 THERMOPLASTIC RESIN, MOLDED BODY CONTAINING THERMOPLASTIC RESIN, AND OPTICAL LENS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2025-10-15 EP disclosed
EP-4631994-A1 THERMOPLASTIC RESIN AND MOLDED OBJECT INCLUDING THERMOPLASTIC RESIN MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2025-10-15 EP disclosed
EP-4631991-A1 THERMOPLASTIC RESIN AND MOLDED BODY CONTAINING THERMOPLASTIC RESIN MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2025-10-15 EP disclosed
EP-3476897-B1 POLYCARBONATE RESIN COMPOSITION AND MOLDED ARTICLE MITSUBISHI CHEM CORP (JP) 2025-06-25 EP disclosed
EP-1304358-A2 Polycarbonate composition, write once read many optical disc substrate and write once read many optical disc using the same and process for production of write once read many optical disc MITSUBISHI CHEMICAL CORPORATION (JP) 2003-04-23 EP disclosed
US-20030023024-A1 Polycarbonate and resin composition MITSUBISHI ENGINEERING-PLASTICS CORPORATION 2003-01-30 US disclosed
US-20020193470-A1 Polycarbonate produced by the melting method having excellent impact resistance at low temperature MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2002-12-19 US disclosed
EP-1234845-A2 Process for producing diphenyl carbonate and process for producing aromatic polycarbonates MITSUBISHI CHEMICAL CORPORATION (JP) 2002-08-28 EP disclosed
US-6255436-B1 AROMATIC POLYCARBONATE PRODUCED BY TRANSESTERIFICATION REACTION BETWEEN AROMATIC DIHYDROXY COMPOUND AND COMPOUND CAPABLE OF INTRODUCING CARBONATE BOND; HAVING LOW CYCLIC OLIGOMER CONTENT; IMPROVED IN COLOR TONE, HEAT RESISTANCE MITSUBISHI CHEMICAL CORPORATION (JP) 2001-07-03 US disclosed
US-6187896-B1 CONTAINS PHOSPHORUS COMPOUND HEAT STABILIZER MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2001-02-13 US disclosed
EP-1016688-A2 Aromatic polycarbonate composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2000-07-05 EP disclosed
EP-1004609-A2 Aromatic polycarbonate MITSUBISHI CHEMICAL CORPORATION (JP) 2000-05-31 EP disclosed
US-5777064-A TRANSESTERIFICATION; MELTING; KNEADING ACIDIC COMPOUND INTO MOLTEN POLYCARBONATE TO CONTINUOUSLY DEVOLATILIZE LOW MOLECULAR WEIGHT COMPOUNDS REMAINING IN POLYMER MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1998-07-07 US disclosed
EP-0738579-A2 Production method of polycarbonate MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1996-10-23 EP 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-20260062520-A1 THERMOPLASTIC RESIN AND MOLDED OBJECT INCLUDING THERMOPLASTIC RESIN RER1, PUF60, SEM1 MEN1 1038/4885ALOX5 533/4885SKP2 2281/4885
US-20260071030-A1 THERMOPLASTIC RESIN, MOLDED BODY CONTAINING THERMOPLASTIC RESIN, AND OPTICAL LENS DERL1, WDR1, RIF1 MEN1 518/4885ALOX5 1134/4885SKP2 1477/4885
US-20260098129-A1 THERMOPLASTIC RESIN AND MOLDED BODY CONTAINING THERMOPLASTIC RESIN RER1, EIF2AK1, RIOK1 MEN1 1020/4885ALOX5 1328/4885SKP2 1185/4885

“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.