SCHEMBL820191

SCHEMBL820191

CCCCC(C(=O)OCCC)[C@H](CC(=O)c1ccc(F)cc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.45
PDPK1 O15530 2/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
RAD52 P43351 1/20 0.39
CA2 P00918 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KLK7 P49862 1/20 0.37
SLC6A9 P48067 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL820398 0.95 LMNA (0.43) HTR7LMNANPC1KMT2AMEN1
SCHEMBL820203 0.94 HTR7 (0.48) HTR7LMNANPC1KMT2AMEN1
SCHEMBL820612 0.93 LMNA (0.47) PDPK1LMNANPC1KMT2AMEN1
SCHEMBL820185 0.90 PDPK1 (0.44) PDPK1LMNANPC1KMT2AMEN1
SCHEMBL820406 0.90 HTR7 (0.44) HTR7LMNANPC1KMT2AMEN1
SCHEMBL820183 0.89 L3MBTL1 (0.43) HTR7LMNAKMT2AMEN1L3MBTL1
SCHEMBL820625 0.89 L3MBTL1 (0.49) LMNANPC1KMT2AMEN1ALDH1A1
SCHEMBL820403 0.88 HPGD (0.44) HTR7LMNANPC1KMT2AMEN1
SCHEMBL820811 0.86 HTR7 (0.40) HTR7LMNANPC1KMT2AMEN1
SCHEMBL820228 0.85 LMNA (0.49) PDPK1LMNANPC1KMT2AMEN1

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-8222177-B2 Catalyst and reaction process JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-07-17 US disclosed
US-20110054190-A1 CATALYST AND REACTION PROCESS JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-03-03 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-20110054190-A1 CATALYST AND REACTION PROCESS ME1, MAL2, ME2 HTR7 1983/4885PDPK1 4324/4885LMNA 4105/4885

“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.