SCHEMBL4551609

SCHEMBL4551609

CCCCCc1cc(O)ccc1C[C@H](N)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.51
MAPT P10636 4/20 0.51
ALOX15 P16050 3/20 0.51
KMT2A Q03164 3/20 0.51
TSHR P16473 2/20 0.51
TYR P14679 2/20 0.51
MEN1 O00255 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
TP53 P04637 1/20 0.51
ALOX5 P09917 1/20 0.51
HTT P42858 1/20 0.51
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 3/20 0.48
LMNA P02545 2/20 0.48
NFKB1 P19838 2/20 0.48
BLM P54132 2/20 0.48
PMP22 Q01453 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HTR1A P08908 1/20 0.48

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
SCHEMBL10935721 0.90 KDM4E (0.51) CYP3A4MAPTALOX15KMT2ATSHR
SCHEMBL10935726 0.90 KDM4E (0.51) CYP3A4MAPTALOX15KMT2ATSHR
SCHEMBL677540 0.85 KDM4E (0.55) CYP3A4MAPTALOX15KMT2ATSHR
SCHEMBL5324787 0.85 KDM4E (0.55) CYP3A4MAPTALOX15KMT2ATSHR
SCHEMBL1260983 0.85 KDM4E (0.55) CYP3A4MAPTALOX15KMT2ATSHR
SCHEMBL2357748 0.82 NOS3 (0.52) SLC7A5PKM
SCHEMBL2357747 0.82 NOS3 (0.52) SLC7A5PKM
SCHEMBL7757879 0.82 TYR (0.56) CYP3A4MAPTALOX15KMT2ATSHR
SCHEMBL11869778 0.82 SLC7A5 (0.51) ALOX15TDP1KDM4EALDH1A1HSD17B10
SCHEMBL11869787 0.82 SLC7A5 (0.51) ALOX15TDP1KDM4EALDH1A1HSD17B10

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
EP-2036918-A1 PEPTIDE DERIVATIVE Vexon, Inc. (JP) 2009-03-18 EP claimed
US-20080009448-A1 Peptide Derivative VEXON, INC. (50%) (JP) 2008-01-10 US claimed
EP-2036918-A1 PEPTIDE DERIVATIVE Vexon, Inc. (JP) 2009-03-18 EP disclosed
US-20080009448-A1 Peptide Derivative VEXON, INC. (50%) (JP) 2008-01-10 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-20080009448-A1 Peptide Derivative ARGLU1, NGLY1, NPR3 CYP3A4 842/4885MAPT 3588/4885ALOX15 974/4885

“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.