SCHEMBL820207

SCHEMBL820207

CCCCC(C(=O)OCCC)[C@H](CC(=O)c1ccccc1)c1ccc(C)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 3/20 0.40
ALDH1A1 P00352 3/20 0.37
CA2 P00918 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.35
ELANE P08246 1/20 0.35
CTRC Q99895 1/20 0.35
NPSR1 Q6W5P4 3/20 0.34
DRD3 P35462 1/20 0.34
POLB P06746 2/20 0.33
PRSS1 P07477 2/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33
CTSG P08311 1/20 0.33
CTRB1 P17538 1/20 0.33
CMA1 P23946 1/20 0.33

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
SCHEMBL820612 0.85 LMNA (0.47) KMT2AMEN1NPC1LMNAALDH1A1
SCHEMBL820398 0.81 LMNA (0.43) KMT2AMEN1NPC1LMNAALDH1A1
SCHEMBL820808 0.80 LMNA (0.42) KMT2AMEN1NPC1LMNAALDH1A1
SCHEMBL820397 0.79 KMT2A (0.42) KMT2AMEN1NPC1LMNAALDH1A1
SCHEMBL820402 0.79 L3MBTL1 (0.55) KMT2AMEN1NPC1LMNAALDH1A1
SCHEMBL820191 0.79 HTR7 (0.45) KMT2AMEN1NPC1LMNAALDH1A1
SCHEMBL820185 0.78 PDPK1 (0.44) KMT2AMEN1NPC1LMNAALDH1A1
SCHEMBL820228 0.78 LMNA (0.49) KMT2AMEN1NPC1LMNAALDH1A1
SCHEMBL820613 0.77 NPC1 (0.45) KMT2AMEN1NPC1LMNACYP3A4
SCHEMBL820625 0.77 L3MBTL1 (0.49) KMT2AMEN1NPC1LMNAALDH1A1

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 KMT2A 2297/4885MEN1 1821/4885NPC1 4730/4885

“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.