Water

Water

SCHEMBL187669

CCCC[N+](CCCC)(CCCC)Cc1ccccc1.[OH-]

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ

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 19)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TP53 P04637 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 2/20 0.53
CYP1A2 P05177 1/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SLC22A1 O15245 1/20 0.44
CNR2 P34972 2/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40

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
SCHEMBL81000 0.98 DNM1 (0.58) DNM1MEN1KMT2ATP53SMN1; SMN2
Hydrogen Sulfide SCHEMBL5998244 0.98 DNM1 (0.58) DNM1MEN1KMT2ATP53SMN1; SMN2
Bromide SCHEMBL29110289 0.96 DNM1 (0.59) DNM1MEN1KMT2ATP53SMN1; SMN2
Fluoride Ion SCHEMBL636828 0.96 DNM1 (0.56) DNM1MEN1KMT2ATP53SMN1; SMN2
Bromide SCHEMBL29110287 0.96 DNM1 (0.56) DNM1MEN1KMT2ATP53SMN1; SMN2
Hydrogen Sulfide SCHEMBL5998240 0.96 DNM1 (0.56) DNM1MEN1KMT2ATP53SMN1; SMN2
Bromide SCHEMBL240143 0.96 DNM1 (0.59) DNM1MEN1KMT2ATP53SMN1; SMN2
Iodide SCHEMBL239944 0.96 DNM1 (0.56) DNM1MEN1KMT2ATP53SMN1; SMN2
Bromide SCHEMBL28701241 0.96 DNM1 (0.56) DNM1MEN1KMT2ATP53SMN1; SMN2
Hydrochloric Acid SCHEMBL194044 0.96 MEN1 (0.59) DNM1MEN1KMT2ATP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12448568-B2 Etching compositions FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2025-10-21 US claimed
CN-120058450-A C (sp) in benzene ring2) Method for deuteration of the H bond 云南大学 2025-05-30 CN claimed
EP-4551989-A1 CLEANING COMPOSITIONS FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2025-05-14 EP claimed
CN-119976882-A Method for synthesizing hierarchical pore molecular sieve 中国石油大学(华东) 2025-05-13 CN claimed
EP-4490772-A2 ETCHING COMPOSITIONS FUJIFILM Electronic Materials U.S.A, Inc. (US) 2025-01-15 EP claimed
CN-119219550-A Reduction method of carboxylic ester compound 云南大学 2024-12-31 CN claimed
CN-116589921-B Silicon-rich anti-reflection coating resin material and preparation method thereof 宁波杭州湾新材料研究院 2024-12-03 CN claimed
CN-119013768-A Etching composition 富士胶片电子材料美国有限公司 2024-11-22 CN claimed
CN-118652735-A Low-corrosion chip photoresist cleaning solution and preparation method and application thereof 江苏奥首材料科技有限公司 2024-09-17 CN claimed
CN-118126783-A Tungsten process cleaning agent for removing residues after dry etching by one-step method 深圳迪道微电子科技有限公司 2024-06-04 CN claimed
WO-2012051380-A2 COMPOSITION FOR AND METHOD OF SUPPRESSING TITANIUM NITRIDE CORROSION ADVANCED TECHNOLOGY MATERIALS, INC. (US) 2012-04-19 WO claimed
CN-102134249-A Preparation method of chiral 5-protection-2-thia-5-aza-bicyclic (2.2.1) hepta-3-ketone TIANJIN JINGYE FINE CHEMICALS CO LTD 2011-07-27 CN claimed
US-20080293831-A1 Method for producing zirconia sol NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-11-27 US claimed
EP-1994979-A1 Method for producing zirconia sol Nissan Chemical Industries, Ltd. (JP) 2008-11-26 EP claimed
CN-101311121-A Preparation of zirconia sol NISSAN CHEMICAL IND LTD (JP) 2008-11-26 CN claimed
CN-1505479-A Pesticide composition containing oxalic acid ������ɽ���� 2004-06-16 CN claimed
EP-1389912-A2 PESTICIDE COMPOSITIONS CONTAINING OXALIC ACID Monsanto Technology LLC (US) 2004-02-25 EP claimed
WO-2002069718-A2 PESTICIDE COMPOSITIONS CONTAINING OXALIC ACID MONSANTO TECHNOLOGY LLC (US) 2002-09-12 WO claimed
US-20020123430-A1 Pesticide compositions containing oxalic acid MONSANTO TECHNOLOGY LLC 2002-09-05 US claimed
US-4530830-A Mixture containing emulsifier REVLON, INC. (US) 1985-07-23 US claimed

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-20020123430-A1 Pesticide compositions containing oxalic acid OTC, SLC47A1, SLC47A2 DNM1 1867/4885MEN1 3332/4885KMT2A 4494/4885

“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.