SCHEMBL820802

SCHEMBL820802

COC(=O)C(C)[C@H](CC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
L3MBTL1 Q9Y468 5/20 0.50
MEN1 O00255 2/20 0.50
NPC1 O15118 1/20 0.50
ATM Q13315 1/20 0.50
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
PDPK1 O15530 1/20 0.47
TSHR P16473 1/20 0.46
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
ESRRB O95718 1/20 0.45
KCNA5 P22460 1/20 0.45
KDM4E B2RXH2 2/20 0.44

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
SCHEMBL7109702 0.86 KMT2A (0.66) KMT2AL3MBTL1MEN1NPC1ATM
SCHEMBL10448370 0.86 KMT2A (0.66) KMT2AL3MBTL1MEN1NPC1ATM
SCHEMBL16617097 0.83 TSHR (0.56) KMT2AL3MBTL1MEN1NPC1ATM
SCHEMBL3066439 0.82 KMT2A (0.60) KMT2AL3MBTL1MEN1NPC1ATM
SCHEMBL3066438 0.82 KMT2A (0.60) KMT2AL3MBTL1MEN1NPC1ATM
SCHEMBL6509897 0.80 KMT2A (0.72) KMT2AL3MBTL1MEN1NPC1ATM
SCHEMBL28658680 0.78 KMT2A (0.74) KMT2AL3MBTL1MEN1NPC1ATM
SCHEMBL29041154 0.78 KMT2A (1.00) KMT2AL3MBTL1MEN1NPC1ATM
SCHEMBL7111978 0.78 KMT2A (0.59) KMT2AL3MBTL1MEN1NPC1ATM
SCHEMBL7108403 0.77 L3MBTL1 (0.68) KMT2AL3MBTL1MEN1NPC1NPSR1

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 2297/4885L3MBTL1 2658/4885MEN1 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.