SCHEMBL5564602

SCHEMBL5564602

NC(Cc1cc(O)ccc1CF)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
ALOX15 P16050 3/20 0.54
HSD17B10 Q99714 3/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
CYP3A4 P08684 2/20 0.54
MAPT P10636 2/20 0.54
NFKB1 P19838 2/20 0.54
BLM P54132 2/20 0.54
PMP22 Q01453 2/20 0.54
KMT2A Q03164 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
ADORA3 P0DMS8 2/20 0.54
HTR2A P28223 2/20 0.54
HTR1A P08908 1/20 0.54
TSHR P16473 1/20 0.54
HTR2C P28335 1/20 0.54
SLC6A4 P31645 1/20 0.54
HTR7 P34969 1/20 0.54
HTR2B P41595 1/20 0.54

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
SCHEMBL5565921 0.94 KDM4E (0.54) KDM4EALOX15HSD17B10ALDH1A1LMNA
SCHEMBL9848007 0.94 KDM4E (0.54) KDM4EALOX15HSD17B10ALDH1A1LMNA
SCHEMBL5565685 0.88 KDM4E (0.51) KDM4EALOX15HSD17B10ALDH1A1LMNA
SCHEMBL5566273 0.84 KDM4E (0.51) KDM4EALOX15HSD17B10ALDH1A1LMNA
SCHEMBL19501942 0.82 ALOX15 (0.57) KDM4EALOX15HSD17B10ALDH1A1LMNA
SCHEMBL15130503 0.82 ALOX15 (0.57) KDM4EALOX15HSD17B10ALDH1A1LMNA
SCHEMBL322219 0.82 ALOX15 (0.57) KDM4EALOX15HSD17B10ALDH1A1LMNA
SCHEMBL677540 0.82 KDM4E (0.55) KDM4EALOX15HSD17B10ALDH1A1LMNA
SCHEMBL5324787 0.82 KDM4E (0.55) KDM4EALOX15HSD17B10ALDH1A1LMNA
SCHEMBL1260983 0.82 KDM4E (0.55) KDM4EALOX15HSD17B10ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100581589-C Radiolabeled amino acid analogs, their preparation and use MALLINCKRODT INC 2010-01-20 CN claimed
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
CN-1674943-A Radiolabeled amino acid analogs, their preparation and use MALLINCKRODT INC (US) 2005-09-28 CN claimed
EP-1539250-A1 RADIOACTIVELY LABELLED AMINO ACID ANALOGUES, THEIR PREPARATION AND USE Mallinckrodt Inc. (US) 2005-06-15 EP claimed
WO-2004110500-A1 RADIOACTIVELY LABELLED AMINO ACID ANALOGUES, THEIR PREPARATION AND USE MALLINCKRODT INC. (US) 2004-12-23 WO claimed
CN-100581589-C Radiolabeled amino acid analogs, their preparation and use MALLINCKRODT INC 2010-01-20 CN disclosed
US-20070081941-A1 F-18 Labeled Amino Acid Analogs MALLINCKRODT INC. (US) 2007-04-12 US disclosed
US-7189383-B2 Radioactively labelled amino acid analogues, their preparation and use MALLINCKRODT INC. 2007-03-13 US disclosed
US-20060127306-A1 Radioactively labelled amino acid analogues, their preparation and use VRIJE UNIVERSITEIT BRUSSEL (BE) 2006-06-15 US disclosed
CN-1674943-A Radiolabeled amino acid analogs, their preparation and use MALLINCKRODT INC (US) 2005-09-28 CN disclosed
EP-1539250-A1 RADIOACTIVELY LABELLED AMINO ACID ANALOGUES, THEIR PREPARATION AND USE Mallinckrodt Inc. (US) 2005-06-15 EP disclosed
WO-2004110500-A1 RADIOACTIVELY LABELLED AMINO ACID ANALOGUES, THEIR PREPARATION AND USE MALLINCKRODT INC. (US) 2004-12-23 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 (2 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-20070081941-A1 F-18 Labeled Amino Acid Analogs BCAT1, BCAT2, SLC1A5 KDM4E 3263/4885ALOX15 3003/4885HSD17B10 2197/4885
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.