Water

Water

SCHEMBL21823213

Cc1n(C)c2ccccc2[n+]1C.[OH-]

nearest known ligand 0.49

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 20)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 1/20 0.49
KDM4E B2RXH2 4/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 3/20 0.46
RAB9A P51151 3/20 0.46
HTT P42858 1/20 0.46
PTPN1 P18031 1/20 0.46
ATM Q13315 1/20 0.41
GPR3 P46089 1/20 0.38
RGS12 O14924 2/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
POLB P06746 1/20 0.36
ALOX15 P16050 2/20 0.35
NQO2 P16083 1/20 0.34
MEN1 O00255 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
SCHEMBL1049324 0.98 ERAP1 (0.50) ERAP1KDM4EMAPTALDH1A1L3MBTL1
Iodide SCHEMBL9134481 0.96 PTPN1 (0.50) ERAP1KDM4EMAPTALDH1A1L3MBTL1
SCHEMBL7250788 0.90 ERAP1 (0.49) ERAP1KDM4EMAPTALDH1A1L3MBTL1
SCHEMBL3290449 0.82 LMNA (0.64) ERAP1KDM4EMAPTALDH1A1L3MBTL1
Water SCHEMBL25364929 0.76 APOBEC3A (0.35) KDM4EMAPTALDH1A1LMNARAB9A
Water SCHEMBL31338886 0.76 MAPT (0.38) KDM4EMAPTRAB9APOLBALOX15
SCHEMBL474643 0.75 KDM4E (0.41) ERAP1KDM4EMAPTALDH1A1L3MBTL1
SCHEMBL25911892 0.75 GPR3 (0.38) ERAP1KDM4EMAPTALDH1A1L3MBTL1
SCHEMBL23641666 0.75 ERAP1 (0.49) ERAP1KDM4EMAPTALDH1A1L3MBTL1
Water SCHEMBL31058792 0.75 LMNA (0.50) ERAP1KDM4EMAPTALDH1A1L3MBTL1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260048993-A1 METHOD OF MAKING MOLECULAR SIEVES OF DON FRAMEWORK TYPE EXXONMOBIL TECHNOLOGY & ENGINEERING COMPANY (US) 2026-02-19 US disclosed
US-20260027546-A1 CARBON DIOXIDE SORBENTS EXXONMOBIL TECHNOLOGY & ENGINEERING COMPANY (US) 2026-01-29 US disclosed
US-20250033029-A1 COATED POROUS MONOLITH STRUCTURES ExxonMobil Technology and Engineering Company 2025-01-30 US disclosed
WO-2025024696-A1 POLYAMINE SORBENTS ON HIGH PORE VOLUME SUPPORTS ExxonMobil Technology and Engineering Company (US) 2025-01-30 WO disclosed
US-20250033027-A1 POLYAMINE SORBENTS ON HIGH PORE VOLUME SUPPORTS ExxonMobil Technology and Engineering Company 2025-01-30 US disclosed
WO-2025024699-A1 COATED POROUS MONOLITH STRUCTURES ExxonMobil Technology and Engineering Company (US) 2025-01-30 WO disclosed
WO-2025024692-A2 CARBON DIOXIDE SORBENTS ExxonMobil Technology and Engineering Company (US) 2025-01-30 WO disclosed
US-11827593-B2 Production of alkylaromatic compounds EXXONMOBIL CHEMICALS PATENTS INC. (US) 2023-11-28 US disclosed
US-20220356132-A1 Production of Alkylaromatic Compounds EXXONMOBIL CHEMICAL PATENTS INC (US) 2022-11-10 US disclosed
EP-3860950-A1 ZEOLITE SYNTHESES AND DIRECTING AGENTS ExxonMobil Research and Engineering Company (US) 2021-08-11 EP disclosed
CN-112739648-A Zeolite synthesis and directing agents 埃克森美孚研究工程公司 2021-04-30 CN disclosed
WO-2021076260-A1 PRODUCTION OF ALKYLAROMATIC COMPOUNDS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2021-04-22 WO disclosed
US-10807875-B2 Zeolite syntheses and directing agents EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2020-10-20 US disclosed
US-20200109058-A1 ZEOLITE SYNTHESES AND DIRECTING AGENTS EXXONMOBIL RES & ENG CO (US) 2020-04-09 US disclosed
WO-2020072157-A1 ZEOLITE SYNTHESES AND DIRECTING AGENTS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2020-04-09 WO 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 (4 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-20260048993-A1 METHOD OF MAKING MOLECULAR SIEVES OF DON FRAMEWORK TYPE APP, HCN4, BACE1 ERAP1 4579/4885KDM4E 759/4885MAPT 544/4885
US-20220356132-A1 Production of Alkylaromatic Compounds MYCBP, TERT, TBCB ERAP1 4516/4885KDM4E 2616/4885MAPT 2158/4885
US-11827593-B2 Production of alkylaromatic compounds MYCBP, TERT, TBCB ERAP1 4516/4885KDM4E 2616/4885MAPT 2158/4885
US-20260027546-A1 CARBON DIOXIDE SORBENTS H1-2, H1-4, DCX ERAP1 3805/4885KDM4E 89/4885MAPT 1062/4885

“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.