SCHEMBL3385884

SCHEMBL3385884

O=C(CO)OCCOCCOC(=O)CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.44
ALDH1A1 P00352 3/20 0.44
TP53 P04637 2/20 0.44
HIF1A Q16665 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ADRA2A P08913 1/20 0.39
ADRA1A P35348 1/20 0.39
BLM P54132 2/20 0.37
MAPT P10636 1/20 0.37
CYP2C19 P33261 2/20 0.36
DGKA P23743 1/20 0.36
SERPINE1 P05121 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CHRM5 P08912 3/20 0.33
CHRM1 P11229 3/20 0.33
CHRM3 P20309 3/20 0.33
GALR3 O60755 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
SCHEMBL20913720 0.92 MEN1 (0.55) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL6560315 0.92 MEN1 (0.55) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL822271 0.92 MEN1 (0.55) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL243060 0.91 ADRA2A (0.43) TSHRALDH1A1TP53HIF1AADRA2A
SCHEMBL5344405 0.88 TSHR (0.37) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8920675 0.88 TSHR (0.39) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8919715 0.88 ALDH1A1 (0.58) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8726786 0.88 ALDH1A1 (0.37) TSHRALDH1A1TP53HIF1AHSD17B10
Ammonia Solution, Strong SCHEMBL2580733 0.88 ADRA2A (0.42) TSHRALDH1A1TP53HIF1AADRA2A
SCHEMBL6683309 0.88 ADRA2A (0.42) TSHRALDH1A1TP53HIF1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756353-B1 ACID DONORS FOR DYEING POLYAMIDE HUNTSMAN ADV MAT SWITZERLAND (CH) 2010-12-01 EP claimed
US-7728067-B2 Acid donors for dyeing polyamide HUNTSMAN INTERNATIONAL LLC (US) 2010-06-01 US claimed
US-20080271260-A1 Acid Donors for Dyeing Polyamide PETER HANS-JORG 2008-11-06 US claimed
EP-1756353-A1 ACID DONORS FOR DYEING POLYAMIDE Huntsman Advanced Materials (Switzerland) GmbH (CH) 2007-02-28 EP claimed
WO-2005106107-A1 ACID DONORS FOR DYEING POLYAMIDE HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2005-11-10 WO claimed
US-9114328-B2 Reactive distillation of a carboxylic acid and a glycol EASTMAN CHEMICAL COMPANY (US) 2015-08-25 US disclosed
US-9114328-B2 Reactive distillation of a carboxylic acid and a glycol EASTMAN CHEMICAL COMPANY (US) 2015-08-25 US disclosed
US-9114328-B2 Reactive distillation of a carboxylic acid and a glycol EASTMAN CHEMICAL COMPANY (US) 2015-08-25 US disclosed
US-20130310598-A1 Reactive Distillation of a Carboxylic Acid and a Glycol EASTMAN CHEMICAL COMPANY (US) 2013-11-21 US disclosed
US-20130310598-A1 Reactive Distillation of a Carboxylic Acid and a Glycol EASTMAN CHEMICAL COMPANY (US) 2013-11-21 US disclosed
WO-2013173156-A1 REACTIVE DISTILLATION OF A CARBOXYLIC ACID AND A GLYCOL EASTMAN CHEMICAL COMPANY (US) 2013-11-21 WO disclosed
EP-1756353-B1 ACID DONORS FOR DYEING POLYAMIDE HUNTSMAN ADV MAT SWITZERLAND (CH) 2010-12-01 EP disclosed
US-7728067-B2 Acid donors for dyeing polyamide HUNTSMAN INTERNATIONAL LLC (US) 2010-06-01 US disclosed
US-20080271260-A1 Acid Donors for Dyeing Polyamide PETER HANS-JORG 2008-11-06 US disclosed
EP-1756353-A1 ACID DONORS FOR DYEING POLYAMIDE Huntsman Advanced Materials (Switzerland) GmbH (CH) 2007-02-28 EP disclosed
WO-2005106107-A1 ACID DONORS FOR DYEING POLYAMIDE HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2005-11-10 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 (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-20130310598-A1 Reactive Distillation of a Carboxylic Acid and a Glycol SORD, UGCG, DGAT1 TSHR 3784/4885ALDH1A1 1393/4885TP53 1283/4885

“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.