Water

Water

SCHEMBL187783

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

nearest known ligand 0.43

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
DNM1 Q05193 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 2/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 3/20 0.39
TSHR P16473 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
MLNR O43193 1/20 0.37
NR1I2 O75469 1/20 0.37
ESR1 P03372 1/20 0.37
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
ADRB2 P07550 1/20 0.37
CHRM2 P08172 1/20 0.37
ADRB1 P08588 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37

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
SCHEMBL2679442 0.98 DNM1 (0.42) DNM1SMN1; SMN2MEN1KMT2AMAPK1
Hydrochloric Acid SCHEMBL635867 0.95 SMN1; SMN2 (0.44) DNM1SMN1; SMN2MEN1KMT2AMAPK1
Fluoride Ion SCHEMBL1502872 0.95 DNM1 (0.41) DNM1SMN1; SMN2MEN1KMT2AMAPK1
Bromide SCHEMBL637206 0.95 DNM1 (0.44) DNM1SMN1; SMN2MEN1KMT2AMAPK1
Iodide SCHEMBL1502864 0.95 APOBEC3A (0.42) DNM1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL5305013 0.91 DNM1 (0.50) DNM1SMN1; SMN2MEN1KMT2AMAPK1
Diethylamine SCHEMBL28169067 0.90 SIGMAR1 (0.37) DNM1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL2150557 0.90 DNM1 (0.38) DNM1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL5292348 0.89 DNM1 (0.53) DNM1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL5301676 0.89 DNM1 (0.53) DNM1SMN1; SMN2MEN1KMT2AMAPK1

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 479 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
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
US-4374042-A QUATERNARY AMMONIUM COMPOUND AND AN ORGANIC IONIC COMPOUND UOP INC. (US) 1983-02-15 US disclosed
US-4360421-A Method for treating mercaptans contained in a sour petroleum distillate UOP INC. (US) 1982-11-23 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

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 DNM1 2852/4885SMN1; SMN2 1888/4885MEN1 1038/4885
US-20260071030-A1 THERMOPLASTIC RESIN, MOLDED BODY CONTAINING THERMOPLASTIC RESIN, AND OPTICAL LENS DERL1, WDR1, RIF1 DNM1 2540/4885SMN1; SMN2 3023/4885MEN1 518/4885
US-20260098129-A1 THERMOPLASTIC RESIN AND MOLDED BODY CONTAINING THERMOPLASTIC RESIN RER1, EIF2AK1, RIOK1 DNM1 3740/4885SMN1; SMN2 2123/4885MEN1 1020/4885

“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.