SCHEMBL4570264

SCHEMBL4570264

CC(=O)CCC(=O)OCCOCCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
EPHX2 P34913 1/20 0.43
ADRA2A P08913 1/20 0.42
ADRA1A P35348 1/20 0.42
MAPT P10636 3/20 0.41
BLM P54132 1/20 0.41
ALDH1A1 P00352 5/20 0.40
TSHR P16473 4/20 0.40
MAPK1 P28482 1/20 0.40
DGKA P23743 1/20 0.39
THRB P10828 2/20 0.36
HTT P42858 1/20 0.36
MGLL Q99685 1/20 0.36
LMNA P02545 1/20 0.34
SLC15A2 Q16348 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
TP53 P04637 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
SCHEMBL16351471 1.00 MEN1 (0.44) MEN1KMT2AEPHX2ADRA2AADRA1A
SCHEMBL14879118 0.92 ADRA2A (0.48) EPHX2ADRA2AADRA1AMAPTBLM
SCHEMBL16020457 0.92 ADRA2A (0.48) EPHX2ADRA2AADRA1AMAPTBLM
SCHEMBL4570263 0.92 ADRA2A (0.48) EPHX2ADRA2AADRA1AMAPTBLM
SCHEMBL16020410 0.92 ADRA2A (0.48) EPHX2ADRA2AADRA1AMAPTBLM
SCHEMBL21876951 0.89 MEN1 (0.55) MEN1KMT2AEPHX2ADRA2AADRA1A
SCHEMBL1815429 0.89 MEN1 (0.55) MEN1KMT2AEPHX2ADRA2AADRA1A
SCHEMBL21055107 0.89 MEN1 (0.55) MEN1KMT2AEPHX2ADRA2AADRA1A
SCHEMBL1986732 0.89 MEN1 (0.55) MEN1KMT2AEPHX2ADRA2AADRA1A
SCHEMBL17525969 0.89 EPHX2 (0.50) MEN1KMT2AEPHX2ADRA2AADRA1A

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-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-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 (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-20120121911-A1 POLYHYDROXY KETAL ESTER ADDUCTS, METHODS OF MANUFACTURE AND USES THEREOF ALKBH3, PHYKPL, KYAT1 MEN1 3616/4885KMT2A 104/4885EPHX2 72/4885

“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.