SCHEMBL17067685

SCHEMBL17067685

C=CC(=O)OCCC(C)(C)OCCC(C)(C)OCCO

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.58
HPGD P15428 1/20 0.44
ALDH1A1 P00352 4/20 0.44
TP53 P04637 3/20 0.44
HIF1A Q16665 3/20 0.44
CYP3A4 P08684 2/20 0.44
HSD17B10 Q99714 1/20 0.44
THRB P10828 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30

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
SCHEMBL22198349 0.92 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL20696479 0.92 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL19291899 0.91 TSHR (0.49) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL15495149 0.90 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL19291834 0.87 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL10067025 0.87 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL24490907 0.86 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL18400492 0.85 TSHR (0.43) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL15682924 0.85 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL24490797 0.84 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A

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
US-20220175667-A1 Extracellular Matrices, Uses Thereof, and Methods of Making Extracellular Matrices THE JOHNS HOPKINS UNIVERSITY 2022-06-09 US disclosed
US-20210069375-A1 Extracellular Matrices, Uses thereof, and Method for Making Extracellular Matrices THE JOHNS HOPKINS UNIVERSITY 2021-03-11 US disclosed
US-10662532-B2 Methods of manufacturing embossing elements AGFA-GEVAERT N.V. (BE) 2020-05-26 US disclosed
EP-3626472-A1 LASER MARKABLE COMPOSITIONS AGFA NV (BE) 2020-03-25 EP disclosed
EP-3626471-A1 LASER MARKABLE COMPOSITIONS AGFA NV (BE) 2020-03-25 EP disclosed
EP-2915856-B1 Etch-resistant inkjet inks for manufacturing conductive patterns AGFA GEVAERT (BE) 2019-10-16 EP disclosed
EP-3201278-B1 METHODS OF MANUFACTURING EMBOSSING ELEMENTS AGFA NV (BE) 2019-10-09 EP disclosed
EP-3201277-B1 DIGITAL FABRICATION OF METALLIC ARTICLES AGFA GEVAERT (BE) 2019-02-20 EP disclosed
US-10039193-B2 Etch-resistant inkjet inks for manufacturing conductive patterns AGFA-GEVAERT (BE) 2018-07-31 US disclosed
US-9938420-B2 Digital fabrication of metallic articles AGFA-GEVAERT (BE) 2018-04-10 US disclosed
EP-3210946-A1 METHOD OF MANUFACTURING AN ETCHED GLASS ARTICLE AGFA-GEVAERT (BE) 2017-08-30 EP disclosed
EP-3210947-A1 METHOD OF MANUFACTURING AN ETCHED GLASS ARTICLE AGFA-GEVAERT (BE) 2017-08-30 EP disclosed
US-20170226355-A1 DIGITAL FABRICATION OF METALLIC ARTICLES AGFA-GEVAERT (BE) 2017-08-10 US disclosed
US-20170218520-A1 METHODS OF MANUFACTURING EMBOSSING ELEMENTS AGFA GRAPHICS NV (BE) 2017-08-03 US disclosed
WO-2016050372-A1 METHODS OF MANUFACTURING EMBOSSING ELEMENTS AGFA GRAPHICS NV (BE) 2016-04-07 WO disclosed
EP-2915856-A1 Etch-resistant inkjet inks for manufacturing conductive patterns AGFA-GEVAERT (BE) 2015-09-09 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 (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-20210069375-A1 Extracellular Matrices, Uses thereof, and Method for Making Extracellular Matrices MMP1, MATR3, COL1A1 TSHR 4786/4885HPGD 842/4885ALDH1A1 676/4885
US-20220175667-A1 Extracellular Matrices, Uses Thereof, and Methods of Making Extracellular Matrices EPCAM, CD44, MATR3 TSHR 4799/4885HPGD 1062/4885ALDH1A1 737/4885

“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.