SCHEMBL820397

SCHEMBL820397

CCCCC(C(=O)OCCC)[C@H](CC(=O)c1ccccc1)c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 4/20 0.41
NPC1 O15118 1/20 0.40
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 4/20 0.38
CA2 P00918 1/20 0.38
CYP3A4 P08684 1/20 0.38
CASP1 P29466 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
DRD3 P35462 1/20 0.34

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
SCHEMBL820811 0.93 HTR7 (0.40) KMT2AMEN1LMNANPC1HTT
SCHEMBL820612 0.86 LMNA (0.47) KMT2AMEN1LMNANPC1HTT
SCHEMBL820808 0.85 LMNA (0.42) KMT2AMEN1LMNANPC1POLB
SCHEMBL820185 0.83 PDPK1 (0.44) KMT2AMEN1LMNANPC1POLB
SCHEMBL820398 0.82 LMNA (0.43) KMT2AMEN1LMNANPC1HTT
SCHEMBL820402 0.80 L3MBTL1 (0.55) KMT2AMEN1LMNANPC1HTT
SCHEMBL820191 0.80 HTR7 (0.45) KMT2AMEN1LMNANPC1POLB
SCHEMBL820207 0.79 KMT2A (0.42) KMT2AMEN1LMNANPC1HTT
SCHEMBL820228 0.78 LMNA (0.49) KMT2AMEN1LMNANPC1HTT
SCHEMBL820613 0.78 NPC1 (0.45) KMT2AMEN1LMNANPC1L3MBTL1

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 1821/4885LMNA 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.