SCHEMBL820228

SCHEMBL820228

CCCOC(=O)C(CCC)[C@H](CC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.42
PDPK1 O15530 2/20 0.42
ATM Q13315 1/20 0.42
TSHR P16473 1/20 0.41
ALDH1A1 P00352 4/20 0.40
NPSR1 Q6W5P4 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38

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 0.92 LMNA (0.47) LMNAKMT2AMEN1NPC1L3MBTL1
SCHEMBL820613 0.86 NPC1 (0.45) LMNAKMT2AMEN1NPC1L3MBTL1
SCHEMBL820398 0.85 LMNA (0.43) LMNAKMT2AMEN1NPC1L3MBTL1
SCHEMBL820191 0.85 HTR7 (0.45) LMNAKMT2AMEN1NPC1L3MBTL1
SCHEMBL820185 0.84 PDPK1 (0.44) LMNAKMT2AMEN1NPC1L3MBTL1
SCHEMBL820808 0.84 LMNA (0.42) LMNAKMT2AMEN1NPC1L3MBTL1
SCHEMBL820402 0.83 L3MBTL1 (0.55) LMNAKMT2AMEN1NPC1L3MBTL1
SCHEMBL820625 0.83 L3MBTL1 (0.49) LMNAKMT2AMEN1NPC1L3MBTL1
SCHEMBL820182 0.81 ALOX5 (0.42) LMNAKMT2AMEN1NPC1L3MBTL1
SCHEMBL820810 0.80 MGAM (0.46) LMNANPSR1MAPTPOLBCYP2D6

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 LMNA 4105/4885KMT2A 2297/4885MEN1 1821/4885

“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.