SCHEMBL5565679

SCHEMBL5565679

CC(F)c1ccc(O)cc1CC(N)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
ALOX15 P16050 3/20 0.50
HSD17B10 Q99714 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
CYP3A4 P08684 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 2/20 0.50
NFKB1 P19838 2/20 0.50
BLM P54132 2/20 0.50
PMP22 Q01453 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
HTR2A P28223 2/20 0.50
HTR1A P08908 1/20 0.50
TSHR P16473 1/20 0.50
HTR2C P28335 1/20 0.50
SLC6A4 P31645 1/20 0.50
HTR7 P34969 1/20 0.50
HTR2B P41595 1/20 0.50

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
SCHEMBL5566266 0.88 KDM4E (0.50) KDM4EALOX15HSD17B10ALDH1A1MAPT
SCHEMBL5565851 0.80 NOS3 (0.54) KDM4EALOX15HSD17B10ALDH1A1MAPT
SCHEMBL9851441 0.79 KDM4E (0.52) KDM4EALOX15HSD17B10ALDH1A1MAPT
SCHEMBL10932979 0.79 KDM4E (0.52) KDM4EALOX15HSD17B10ALDH1A1MAPT
SCHEMBL10934414 0.79 KDM4E (0.52) KDM4EALOX15HSD17B10ALDH1A1MAPT
SCHEMBL9848019 0.79 KDM4E (0.52) KDM4EALOX15HSD17B10ALDH1A1MAPT
SCHEMBL15130503 0.78 ALOX15 (0.57) KDM4EALOX15HSD17B10ALDH1A1MAPT
SCHEMBL322219 0.78 ALOX15 (0.57) KDM4EALOX15HSD17B10ALDH1A1MAPT
SCHEMBL5324787 0.78 KDM4E (0.55) KDM4EALOX15HSD17B10ALDH1A1MAPT
SCHEMBL677540 0.78 KDM4E (0.55) KDM4EALOX15HSD17B10ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189383-B2 Radioactively labelled amino acid analogues, their preparation and use MALLINCKRODT INC. 2007-03-13 US claimed
US-20060127306-A1 Radioactively labelled amino acid analogues, their preparation and use VRIJE UNIVERSITEIT BRUSSEL (BE) 2006-06-15 US claimed

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-20060127306-A1 Radioactively labelled amino acid analogues, their preparation and use BCAT1, BCAT2, SLC1A5 KDM4E 3268/4885ALOX15 3080/4885HSD17B10 2307/4885

“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.