SCHEMBL820208

SCHEMBL820208

CCOC(=O)C(CC)C(CC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
NPC1 O15118 1/20 0.63
MMP8 P22894 1/20 0.46
NPSR1 Q6W5P4 3/20 0.45
POLB P06746 2/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
PDPK1 O15530 2/20 0.44
ATM Q13315 1/20 0.44
TSHR P16473 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL820803 1.00 KMT2A (0.63) KMT2AMEN1NPC1MMP8NPSR1
SCHEMBL3066439 0.88 KMT2A (0.60) KMT2AMEN1NPC1NPSR1POLB
SCHEMBL3066438 0.88 KMT2A (0.60) KMT2AMEN1NPC1NPSR1POLB
SCHEMBL7109210 0.85 KMT2A (0.67) KMT2AMEN1NPC1MMP8NPSR1
SCHEMBL16616994 0.84 TSHR (0.53) KMT2AMEN1NPC1NPSR1POLB
SCHEMBL24157600 0.82 KMT2A (0.63) KMT2AMEN1NPC1MMP8NPSR1
SCHEMBL7107026 0.81 KMT2A (0.61) KMT2AMEN1NPC1MMP8NPSR1
SCHEMBL6250715 0.80 KMT2A (0.69) KMT2AMEN1NPC1MMP8NPSR1
SCHEMBL820228 0.79 LMNA (0.49) KMT2AMEN1NPC1NPSR1POLB
SCHEMBL7716658 0.78 MMP8 (0.44) KMT2AMEN1NPC1MMP8POLB

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.