Water

Water

SCHEMBL994455

C[N+](C)(c1ccccc1)c1ccccc1.[OH-]

nearest known ligand 0.58

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
APOBEC3A P31941 1/20 0.58
APOBEC3G Q9HC16 1/20 0.58
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 5/20 0.37
ACHE P22303 4/20 0.37
LMNA P02545 2/20 0.37
ALOX12 P18054 1/20 0.37
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CA4 P22748 2/20 0.32
TP53 P04637 1/20 0.32
INMT O95050 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
GLA P06280 1/20 0.30
CA3 P07451 1/20 0.30
CA9 Q16790 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
SCHEMBL12020265 0.97 APOBEC3A (0.61) APOBEC3AAPOBEC3GALDH1A1TDP1KDM4E
SCHEMBL1684199 0.97 APOBEC3A (0.61) APOBEC3AAPOBEC3GALDH1A1TDP1KDM4E
SCHEMBL7546309 0.93 APOBEC3A (0.58) APOBEC3AAPOBEC3GALDH1A1TDP1KDM4E
SCHEMBL7546306 0.93 APOBEC3A (0.58) APOBEC3AAPOBEC3GALDH1A1TDP1KDM4E
Iodide SCHEMBL5085390 0.93 APOBEC3A (0.67) APOBEC3AAPOBEC3GALDH1A1TDP1KDM4E
Bromide SCHEMBL5092593 0.93 APOBEC3A (0.58) APOBEC3AAPOBEC3GALDH1A1TDP1KDM4E
Hydrochloric Acid SCHEMBL2320632 0.93 APOBEC3A (0.58) APOBEC3AAPOBEC3GALDH1A1TDP1KDM4E
Boric Acid SCHEMBL11811405 0.85 APOBEC3A (0.50) APOBEC3AAPOBEC3GALDH1A1TDP1KDM4E
SCHEMBL7637767 0.85 APOBEC3A (0.50) APOBEC3AAPOBEC3GALDH1A1TDP1KDM4E
SCHEMBL2318951 0.83 ALDH1A1 (0.52) APOBEC3AAPOBEC3GALDH1A1TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12173150-B2 Polyester carbonates from cycloaliphatic diacids and aliphatic diols, and process for preparing same COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2024-12-24 US claimed
US-20220073737-A1 POLYESTER CARBONATES FROM CYCLOALIPHATIC DIACIDS AND ALIPHATIC DIOLS, AND PROCESS FOR PREPARING SAME COVESTRO DEUTSCHLAND AG (DE) 2022-03-10 US claimed
EP-3898764-A1 POLYESTER CARBONATES FROM CYCLOALIPHATIC DIACIDS AND ALIPHATIC DIOLS, AND PROCESS FOR PREPARING SAME Covestro Intellectual Property GmbH & Co. KG (DE) 2021-10-27 EP claimed
CN-113166384-A Polyester carbonates made from cycloaliphatic diacids and aliphatic diols and methods for making the same 科思创知识产权两合公司 2021-07-23 CN claimed
WO-2020126806-A1 POLYESTER CARBONATES FROM CYCLOALIPHATIC DIACIDS AND ALIPHATIC DIOLS, AND PROCESS FOR PREPARING SAME COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2020-06-25 WO claimed
EP-4526369-B1 POLYSILOXANE POLYCARBONATE BLOCK COPOLYMERS FROM SPECIALLY TERMINATED SILOXANE BLOCKS COVESTRO DEUTSCHLAND AG (DE) 2026-03-04 EP disclosed
EP-4514878-B1 AMORPHOUS COPOLYCARBONATE WITH PHENOLIC BUILDING BLOCKS COVESTRO DEUTSCHLAND AG (DE) 2026-03-04 EP disclosed
EP-3055342-B1 PROCESS FOR PREPARING POLYSILOXANE-POLYCARBONATE BLOCK COCONDENSATES USING A SALT OF A WEAK ACID COVESTRO DEUTSCHLAND AG (DE) 2026-03-04 EP disclosed
EP-4514877-B1 POLYCARBONATE COCONDENSATE WITH PHENOLIC BUILDING BLOCKS COVESTRO DEUTSCHLAND AG (DE) 2026-03-04 EP disclosed
US-12534568-B2 Polyester carbonates consisting of different diols in a defined ratio COVESTRO DEUTSCHLAND AG (DE) 2026-01-27 US disclosed
US-12516152-B2 Polyester carbonates having a defined proportion of ester groups COVESTRO DEUTSCHLAND AG (DE) 2026-01-06 US disclosed
US-20250326896-A1 Polysiloxane-Polycarbonate Block Co-Condensates Composed of Specially Terminated Siloxane Blocks COVESTRO DEUTSCHLAND AG (DE) 2025-10-23 US disclosed
US-4320029-A Catalytic composite, method of manufacture, and process for use UOP INC. (US) 1982-03-16 US disclosed
US-4308169-A TREATMENT WITH AQUEOUS SOLUTION OF QUATERNARY AMMONIUM COMPOUND AND LINEAR IONIC COMPOUND UOP INC. (US) 1981-12-29 US disclosed
US-4299729-A TREATING WITH AN AMMONIACAL SOLUTION OF A METAL CHELATE AND AN AQUEOUS SOLUTION OF A QUATERNARY AMMONIUM COMPOUND UOP INC. (US) 1981-11-10 US disclosed
US-4298463-A Method of treating a sour petroleum distillate UOP INC. (US) 1981-11-03 US disclosed
US-4213877-A Method of reactivating a catalytic composite of an adsorptive carrier material and a mercaptan oxidation catalyst UOP INC. (US) 1980-07-22 US disclosed
US-4203827-A Process for treating sour petroleum distillates UOP INC. (US) 1980-05-20 US disclosed
US-3977996-A CHROMIUM (III) CARBOXYLATE, COCATALYST AEROJET-GENERAL CORPORATION (US) 1976-08-31 US disclosed
US-3978026-A SYNERGISTIC, CHROMIUMIII TRICARBOXYLATE, COCATALYST AEROJET-GENERAL CORPORATION (US) 1976-08-31 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-12534568-B2 Polyester carbonates consisting of different diols in a defined ratio HSD11B2, HSD11B1, HSD3B1 APOBEC3A 4431/4885APOBEC3G 4330/4885ALDH1A1 958/4885

“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.