Water

Water

SCHEMBL4076519

CCCCCC[N+]1(C)CCOCC1.[OH-]

nearest known ligand 0.54

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 7)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.54
GNAI3 P08754 1/20 0.46
GNAO1 P09471 1/20 0.46
GNAI1 P63096 1/20 0.46
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
THRB P10828 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
SCHEMBL17418564 0.98 CDC25A (0.55) CDC25AGNAI3GNAO1GNAI1HPGD
SCHEMBL92698 0.98 CDC25A (0.55) CDC25AGNAI3GNAO1GNAI1HPGD
SCHEMBL4065812 0.98 CDC25A (0.55) CDC25AGNAI3GNAO1GNAI1HPGD
SCHEMBL17419072 0.98 CDC25A (0.55) CDC25AGNAI3GNAO1GNAI1HPGD
SCHEMBL4752338 0.98 CDC25A (0.55) CDC25AGNAI3GNAO1GNAI1HPGD
SCHEMBL5878763 0.98 CDC25A (0.55) CDC25AGNAI3GNAO1GNAI1HPGD
SCHEMBL28355508 0.98 CDC25A (0.55) CDC25AGNAI3GNAO1GNAI1HPGD
SCHEMBL13042277 0.98 CDC25A (0.55) CDC25AGNAI3GNAO1GNAI1HPGD
SCHEMBL4428238 0.98 CDC25A (0.55) CDC25AGNAI3GNAO1GNAI1HPGD
SCHEMBL16759958 0.96 CDC25A (0.54) CDC25AGNAI3GNAO1GNAI1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504527-B2 Low corrosive integrated process for preparing dialkyl carbonates BADGER LICENSING, LLC (US) 2009-03-17 US disclosed
US-7491837-B2 Low corrosive integrated process for preparing dialkyl carbonates BADGER LICENSING LLC. (US) 2009-02-17 US disclosed
US-7145029-B2 Low corrosive integrated process for preparing dialkyl carbonates EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-12-05 US disclosed
EP-1490323-A1 A LOW CORROSIVE INTEGRATED PROCESS FOR PREPARING DIALKYL CARBONATES ExxonMobil Chemical Patents, Inc., A Corporation of the State of Delaware (US) 2004-12-29 EP disclosed
US-20040236136-A1 Low corrosive integrated process for preparing dialkyl carbonates BADGER LICENSING, LLC 2004-11-25 US disclosed
US-6774256-B2 Low corrosive integrated process for preparing dialkyl carbonates EXXONMOBIL CHEMICAL PATENTS INC. 2004-08-10 US disclosed
US-20040059083-A1 Low corrosive integrated process for preparing dialkyl carbonates BADGER LICENSING, LLC 2004-03-25 US disclosed
US-20040054214-A1 Low corrosive integrated process for preparing dialkyl carbonates BADGER LICENSING, LLC 2004-03-18 US disclosed
WO-2003082797-A1 A LOW CORROSIVE INTEGRATED PROCESS FOR PREPARING DIALKYL CARBONATES EXXONMOBIL CHEMICAL PATENTS INC. A CORPORATION OF THE STATE OF DELAWARE (US) 2003-10-09 WO disclosed
US-20030023109-A1 Low corrosive integrated process for preparing dialkyl carbonates BADGER LICENSING, LLC 2003-01-30 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-20040236136-A1 Low corrosive integrated process for preparing dialkyl carbonates DCLK1, DGKI, GALK1 CDC25A 3911/4885GNAI3 2144/4885GNAO1 2522/4885
US-20040054214-A1 Low corrosive integrated process for preparing dialkyl carbonates DCLK1, DGKI, GALK1 CDC25A 3911/4885GNAI3 2144/4885GNAO1 2522/4885
US-20030023109-A1 Low corrosive integrated process for preparing dialkyl carbonates DCLK1, DGKI, GALK1 CDC25A 3911/4885GNAI3 2144/4885GNAO1 2522/4885

“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.