SCHEMBL5494362

SCHEMBL5494362

C=CC(=O)NCCCCCC(=O)NCCCCCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.56
ZDHHC20 Q5W0Z9 1/20 0.56
ZDHHC2 Q9UIJ5 1/20 0.56
PRMT1 Q99873 1/20 0.53
ADRA1A P35348 1/20 0.50
KDM4E B2RXH2 1/20 0.49
TSHR P16473 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.45
TGM2 P21980 2/20 0.44
FAAH O00519 2/20 0.44
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
MAPT P10636 2/20 0.44
ABCC4 O15439 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A5 Q9Y345 1/20 0.43

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
SCHEMBL2131595 1.00 EPHX2 (0.56) EPHX2ZDHHC20ZDHHC2PRMT1ADRA1A
SCHEMBL16798933 0.97 EPHX2 (0.53) EPHX2ZDHHC20ZDHHC2PRMT1ADRA1A
SCHEMBL16799231 0.97 EPHX2 (0.53) EPHX2ZDHHC20ZDHHC2PRMT1ADRA1A
SCHEMBL16799232 0.97 EPHX2 (0.53) EPHX2ZDHHC20ZDHHC2PRMT1ADRA1A
SCHEMBL16799343 0.97 EPHX2 (0.53) EPHX2ZDHHC20ZDHHC2PRMT1ADRA1A
SCHEMBL16799046 0.95 EPHX2 (0.50) EPHX2ZDHHC20ZDHHC2PRMT1ADRA1A
SCHEMBL24760845 0.93 ZDHHC20 (0.63) EPHX2ZDHHC20ZDHHC2TSHRMAPK1
SCHEMBL1018094 0.93 ZDHHC20 (0.63) EPHX2ZDHHC20ZDHHC2PRMT1ADRA1A
SCHEMBL15463341 0.93 ZDHHC20 (0.63) EPHX2ZDHHC20ZDHHC2PRMT1ADRA1A
SCHEMBL707155 0.93 ZDHHC20 (0.63) EPHX2ZDHHC20ZDHHC2PRMT1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276482-B2 Peptide and peptide mimetic derivatives with integrin-inhibitors properties II BIOMET DEUTSCHLAND GMBH (DE) 2007-10-02 US disclosed
US-20040043937-A1 Peptide and peptide mimetic derivatives with integrin-inhibitors properties II BIOMET DEUTSCHLAND GMBH (DE) 2004-03-04 US disclosed
CN-1282337-A Cyclopeptide derivatives with integrin inhibitor properties MERCK PATENT GMBH (DE) 2001-01-31 CN 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-20040043937-A1 Peptide and peptide mimetic derivatives with integrin-inhibitors properties II ITGB1, ITGA1, ITGB2 EPHX2 1129/4885ZDHHC20 2712/4885ZDHHC2 3147/4885

“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.