SCHEMBL5985979

SCHEMBL5985979

CCCCN(C)C(O)CC

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.35
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA9 Q16790 3/20 0.33
ALDH1A1 P00352 3/20 0.33
ALDH2 P05091 1/20 0.33
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP8 P22894 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL1240187 0.93 DNM1 (0.44) DNM1CA12CA1CA9CA2
SCHEMBL7920911 0.91 DNM1 (0.48) DNM1CA12CA1CA9CA2
SCHEMBL1241227 0.91 DNM1 (0.42) DNM1CA12CA1CA9CA2
SCHEMBL9161823 0.91 DNM1 (0.48) DNM1CA12CA1CA9CA2
SCHEMBL18941461 0.91 DNM1 (0.48) DNM1CA12CA1CA9CA2
SCHEMBL1403907 0.91 DNM1 (0.48) DNM1CA12CA1CA9CA2
Hydrochloric Acid SCHEMBL28919675 0.89 DNM1 (0.50) DNM1CA12CA1CA9CA2
SCHEMBL16105752 0.85 DNM1 (0.35) DNM1CA12CA1CA9ALDH1A1
SCHEMBL17622993 0.84
SCHEMBL7528493 0.84 TSHR (0.37)

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
EP-2784059-B1 Method for isolating tertiary amino alcohol TOSHIBA KK (JP) 2016-08-24 EP disclosed
US-9181174-B2 Method for isolating tertiary amino alcohol KABUSHIKI KAISHA TOSHIBA (JP) 2015-11-10 US disclosed
US-20140296576-A1 METHOD FOR ISOLATING TERTIARY AMINO ALCOHOL KABUSHIKI KAISHA TOSHIBA (JP) 2014-10-02 US disclosed
EP-2784059-A1 Method for isolating tertiary amino alcohol Kabushiki Kaisha Toshiba (JP) 2014-10-01 EP disclosed
EP-2447264-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-05-02 EP disclosed
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 EP disclosed
EP-0668271-B1 Process for the preparation of isocyanurate-group containing polyisocyanates BASF AG (DE) 2002-01-16 EP disclosed
US-5489663-A TRIMERIZING ALIPHATIC AND/OR CYCLOALIPHATIC DIISOCYANATES USING TETRAALKYLAMMONIUM ALKYL CARBONATE OR MIXTURES WITH QUATERNARY AMMONIOALKYL CARBONATE CATALYSTS, DEACTIVATING CATALYST BASF AKTIENGESELLSCHAFT (DE) 1996-02-06 US disclosed
EP-0400435-B1 Carbonic half-ester of betaine structure BASF AG (DE) 1994-04-13 EP disclosed
EP-0400435-A2 Carbonic half-ester of betaine structure BASF Aktiengesellschaft (DE) 1990-12-05 EP 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-20140296576-A1 METHOD FOR ISOLATING TERTIARY AMINO ALCOHOL ADH1C, AADAT, ADH1A DNM1 1211/4885CA12 3128/4885CA1 2461/4885

“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.