SCHEMBL985169

SCHEMBL985169

CC(=O)c1ccc(C(=O)NC(COCCC(=O)OC(C)(C)C)(COCCC(=O)OC(C)(C)C)COCCC(=O)OC(C)(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
PTPRC P08575 2/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 2/20 0.33
RIPK1 Q13546 1/20 0.33
RIPK3 Q9Y572 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
TLR2 O60603 1/20 0.33
TLR1 Q15399 1/20 0.33
MAOB P27338 1/20 0.32
AOC3 Q16853 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL26699926 0.82 MAPT (0.39) EPHX2NR1H4L3MBTL1GAAMAPT
SCHEMBL437844 0.77 TDP1 (0.46) L3MBTL1NPC1GAAMAPTMEN1
SCHEMBL2644738 0.75 PRSS1 (0.50) EPHX2NR1H4L3MBTL1PTPRCNPC1
SCHEMBL18736143 0.73 TSHR (0.32) EPHX2
SCHEMBL20828067 0.73 EPHX2 (0.31) EPHX2
SCHEMBL945241 0.72 CA14 (0.35)
SCHEMBL14900159 0.72 STING1 (0.33) EPHX2
SCHEMBL19500424 0.72 SYK (0.46) L3MBTL1NPC1MAPTMEN1ALDH1A1
SCHEMBL26699930 0.72 BAZ2B (0.39) NPC1MAPTSMN1; SMN2
SCHEMBL14343031 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110014196-A1 Drug Transfer into Living Cells COVALYS BIOSCIENCES AG (CH) 2011-01-20 US disclosed
US-20110014196-A1 Drug Transfer into Living Cells COVALYS BIOSCIENCES AG (CH) 2011-01-20 US disclosed
US-20110014196-A1 Drug Transfer into Living Cells COVALYS BIOSCIENCES AG (CH) 2011-01-20 US disclosed
WO-2009043899-A1 DRUG TRANSFER INTO LIVING CELLS COVALYS BIOSCIENCES AG (CH) 2009-04-09 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 (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-20110014196-A1 Drug Transfer into Living Cells TSPO, MPI, ABCB1 EPHX2 2975/4885NR1H4 568/4885L3MBTL1 1709/4885

“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.