SCHEMBL4570263

SCHEMBL4570263

CC(=O)CCC(=O)OCCOCCOC(=O)CCC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.48
ADRA1A P35348 1/20 0.48
ALDH1A1 P00352 5/20 0.48
MAPT P10636 2/20 0.46
BLM P54132 1/20 0.46
DGKA P23743 1/20 0.45
TSHR P16473 4/20 0.43
LMNA P02545 1/20 0.40
SLC15A2 Q16348 1/20 0.40
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
THRB P10828 1/20 0.38
HTR2C P28335 1/20 0.36
EPHX2 P34913 2/20 0.34
DNM1 Q05193 1/20 0.33
TRPA1 O75762 1/20 0.33
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 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
SCHEMBL16020457 1.00 ADRA2A (0.48) ADRA2AADRA1AALDH1A1MAPTBLM
SCHEMBL14879118 1.00 ADRA2A (0.48) ADRA2AADRA1AALDH1A1MAPTBLM
SCHEMBL16020410 1.00 ADRA2A (0.48) ADRA2AADRA1AALDH1A1MAPTBLM
SCHEMBL13635974 0.93 ALDH1A1 (0.56) ADRA2AADRA1AALDH1A1MAPTBLM
SCHEMBL12314639 0.92 ADRA2A (0.42) ADRA2AADRA1AALDH1A1MAPTBLM
SCHEMBL4570264 0.92 MEN1 (0.44) ADRA2AADRA1AALDH1A1MAPTBLM
SCHEMBL16351471 0.92 MEN1 (0.44) ADRA2AADRA1AALDH1A1MAPTBLM
SCHEMBL18252755 0.92 LMNA (0.56) ADRA2AADRA1AALDH1A1MAPTBLM
SCHEMBL16789175 0.92 NAAA (0.44) ADRA2AADRA1AALDH1A1MAPTBLM
SCHEMBL29333715 0.92 ADRA2A (0.42) ADRA2AADRA1AALDH1A1MAPTBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180042996-A1 Hydrogel-Linked IL-1ra Prodrug ASCENDIS PHARMA OSTEOARTHRITIS DIVISION A/S (DK) 2018-02-15 US disclosed
US-9840607-B2 Polyhydroxy ketal ester adducts, methods of manufacture and uses thereof GFBIOCHEMICALS LIMITED (MT) 2017-12-12 US disclosed
US-9840607-B2 Polyhydroxy ketal ester adducts, methods of manufacture and uses thereof GFBIOCHEMICALS LIMITED (MT) 2017-12-12 US disclosed
US-20160237302-A1 WATERBORNE COMPOSITIONS CALLAGHAN INNOVATION RESEARCH LIMITED (NZ) 2016-08-18 US disclosed
US-20160237302-A1 WATERBORNE COMPOSITIONS CALLAGHAN INNOVATION RESEARCH LIMITED (NZ) 2016-08-18 US disclosed
US-20160068660-A1 POLYHYDROXY KETAL ESTER ADDUCTS, METHODS OF MANUFACTURE AND USES THEREOF GFBIOCHEMICALS LIMITED (MT) 2016-03-10 US disclosed
US-20160068660-A1 POLYHYDROXY KETAL ESTER ADDUCTS, METHODS OF MANUFACTURE AND USES THEREOF GFBIOCHEMICALS LIMITED (MT) 2016-03-10 US disclosed
US-9187598-B2 Polyhydroxy ketal ester adducts, methods of manufacture and uses thereof SEGETIS, INC. (US) 2015-11-17 US disclosed
US-9187598-B2 Polyhydroxy ketal ester adducts, methods of manufacture and uses thereof SEGETIS, INC. (US) 2015-11-17 US disclosed
WO-2015038012-A1 WATERBORNE COMPOSITIONS VICTORIA LINK LIMITED (NZ) 2015-03-19 WO disclosed
WO-2012065116-A2 POLYHYDROXY KETAL ESTER ADDUCTS, METHODS OF MANUFACTURE AND USES THEREOF SEGETIS, INC. (US) 2012-05-18 WO disclosed
US-20120121911-A1 POLYHYDROXY KETAL ESTER ADDUCTS, METHODS OF MANUFACTURE AND USES THEREOF SEGETIS, INC. (US) 2012-05-17 US disclosed
US-20120121911-A1 POLYHYDROXY KETAL ESTER ADDUCTS, METHODS OF MANUFACTURE AND USES THEREOF SEGETIS, INC. (US) 2012-05-17 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 (3 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-20160068660-A1 POLYHYDROXY KETAL ESTER ADDUCTS, METHODS OF MANUFACTURE AND USES THEREOF ALKBH3, PHYKPL, KYAT1 ADRA2A 3820/4885ADRA1A 3942/4885ALDH1A1 1068/4885
US-20120121911-A1 POLYHYDROXY KETAL ESTER ADDUCTS, METHODS OF MANUFACTURE AND USES THEREOF ALKBH3, PHYKPL, KYAT1 ADRA2A 3820/4885ADRA1A 3942/4885ALDH1A1 1068/4885
US-20180042996-A1 Hydrogel-Linked IL-1ra Prodrug IL1A, IL1B, IL1R1 ADRA2A 443/4885ADRA1A 149/4885ALDH1A1 118/4885

“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.