SCHEMBL5993397

SCHEMBL5993397

C=CC(=O)NCCCN(OCCO)OCCO

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.46
ZDHHC2 Q9UIJ5 1/20 0.46
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TGM2 P21980 6/20 0.38
GAA P10253 1/20 0.35
ACHE P22303 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.32

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
Di(Hydroxyethyl)Ether SCHEMBL18938860 0.77 ZDHHC20 (0.50) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL26085056 0.76 ZDHHC20 (0.49) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL1065204 0.76 ZDHHC20 (0.61) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL36683 0.76
SCHEMBL8766333 0.75 ZDHHC20 (0.52) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
Hydrochloric Acid SCHEMBL28790272 0.74 ZDHHC20 (0.59) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL155436 0.74 ZDHHC20 (0.64) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL632264 0.73 ZDHHC20 (0.75) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL1561467 0.73 ZDHHC20 (0.68) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL476500 0.73 TSHR (0.46) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060128663-A1 Aryl boronate functionalized polymers for treating obesity GENZYME CORPORATION (US) 2006-06-15 US disclosed
US-7041280-B2 Aryl boronate functionalized polymers for treating obesity GENZYME CORPORATION (US) 2006-05-09 US disclosed
EP-1404686-A1 ARYL BORONATE FUNCTIONALIZED POLYMERS FOR TREATING OBESITY Geltex Pharmaceuticals, Inc. (US) 2004-04-07 EP disclosed
US-20030059399-A1 Aryl boronate functionalized polymers for treating obesity GELTEX PHARMACEUTICALS, INC. 2003-03-27 US disclosed
WO-2003002571-A1 ARYL BORONATE FUNCTIONALIZED POLYMERS FOR TREATING OBESITY GENZYME CORPORATION (US) 2003-01-09 WO 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-20030059399-A1 Aryl boronate functionalized polymers for treating obesity CEL, AHR, LIPE ZDHHC20 598/4885ZDHHC2 573/4885TSHR 288/4885
US-20060128663-A1 Aryl boronate functionalized polymers for treating obesity CEL, AHR, LIPE ZDHHC20 560/4885ZDHHC2 503/4885TSHR 273/4885

“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.