SCHEMBL5440508

SCHEMBL5440508

CCOCCOCCN(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
KDM4E B2RXH2 7/20 0.41
THRA P10827 1/20 0.40
ALDH1A1 P00352 6/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRM3 P20309 1/20 0.36
CHRNA4 P43681 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 2/20 0.33

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
SCHEMBL5441243 1.00 CA12 (0.48) CA12CA1CA2CA9KDM4E
Hydrochloric Acid SCHEMBL29100722 0.97 CA12 (0.47) CA12CA1CA2CA9KDM4E
SCHEMBL426303 0.94
SCHEMBL19801499 0.93 CA12 (0.44) CA12CA1CA2CA9KDM4E
Hydrochloric Acid SCHEMBL5696029 0.92
SCHEMBL3973874 0.88 CA12 (0.56) CA12CA1CA2CA9KDM4E
SCHEMBL12918862 0.88 CA12 (0.56) CA12CA1CA2CA9KDM4E
SCHEMBL19801514 0.87 CA12 (0.40) CA12CA1CA2CA9KDM4E
Dimethylamine SCHEMBL27848246 0.86 ALDH1A1 (0.38) CA12CA1CA2CA9KDM4E
Ammonia Solution, Strong SCHEMBL17238502 0.85 CA12 (0.54) CA12CA1CA2CA9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1525235-A1 MICROSTRUCTURE CHAIN TRANSFER AGENTS FOR ANIONIC POLYMERIZATION Hellermann, Walter (DE) 2005-04-27 EP claimed
WO-2004014966-A1 MICROSTRUCTURE CHAIN TRANSFER AGENTS FOR ANIONIC POLYMERIZATION HELLERMANN WALTER (DE) 2004-02-19 WO claimed
US-10990012-B2 Silsesquioxane resin and oxaamine composition DOW SILICONES CORPORATION (US) 2021-04-27 US disclosed
CN-108699204-B Polyisocyanate composition, coating composition, water-based coating composition, and coated substrate 旭化成株式会社 2020-10-16 CN disclosed
US-20190171106-A1 Silsesquioxane Resin and Oxaamine Composition DOW SILICONES CORPORATION 2019-06-06 US disclosed
US-20190136005-A1 POLYURETHANE FOAM PREMIXES CONTAINING HALOGENATED OLEFIN BLOWING AGENTS AND FOAMS MADE FROM SAME HONEYWELL INTERNATIONAL INC. 2019-05-09 US disclosed
CN-108699204-A Polyisocyanate composition, coating composition, water-based coating composition, and coated substrate 旭化成株式会社 2018-10-23 CN disclosed
US-9840680-B2 Fragrance compositions comprising ionic liquids THE PROCTER & GAMBLE COMPANY (US) 2017-12-12 US disclosed
WO-2017192345-A1 SILSESQUIOXANE RESIN AND OXAAMINE COMPOSITION DOW CORNING CORPORATION (US) 2017-11-09 WO disclosed
US-20160151527-A1 Ionic Liquids THE PROCTER & GAMBLE COMPANY 2016-06-02 US disclosed
US-20160115424-A1 FRAGRANCE COMPOSITIONS COMPRISING IONIC LIQUIDS THE PROCTER & GAMBLE COMPANY 2016-04-28 US disclosed
EP-2500368-A2 Catalyst and process for producing a rigid polyurethane foam Tosoh Corporation (JP) 2012-09-19 EP disclosed
US-20070043132-A1 Catalyst and process for producing a rigid polyurethane foam TOSOH CORPORATION (JP) 2007-02-22 US disclosed
EP-1525235-A1 MICROSTRUCTURE CHAIN TRANSFER AGENTS FOR ANIONIC POLYMERIZATION Hellermann, Walter (DE) 2005-04-27 EP disclosed
EP-1520849-A1 Process for the preparation of 2-(n,n-dialkylamino)-ethoxy compounds Degussa AG (DE) 2005-04-06 EP disclosed
US-20040082465-A1 Catalyst and process for producing a rigid polyurethane foam TOSOH CORPORATION (JP) 2004-04-29 US disclosed
WO-2004014966-A1 MICROSTRUCTURE CHAIN TRANSFER AGENTS FOR ANIONIC POLYMERIZATION HELLERMANN WALTER (DE) 2004-02-19 WO disclosed
EP-1382624-A1 Catalyst and process for producing a rigid polyurethane foam Tosoh Corporation (JP) 2004-01-21 EP disclosed
US-5691107-A Silver halide photographic photosensitive material MITSUBISHI PAPER MILLS LIMITED (JP) 1997-11-25 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 (2 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-20160115424-A1 FRAGRANCE COMPOSITIONS COMPRISING IONIC LIQUIDS CUTA, TRPA1, POLR1C CA12 3004/4885CA1 2739/4885CA2 2851/4885
US-20160151527-A1 Ionic Liquids SLC6A6, SLC6A9, PIP4K2C CA12 332/4885CA1 245/4885CA2 236/4885

“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.