SCHEMBL4228978

SCHEMBL4228978

CC(C)(C)OC(=O)N1CCCC1C(=O)NNC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
KLK7 P49862 1/20 0.55
NPSR1 Q6W5P4 2/20 0.55
LMNA P02545 2/20 0.54
TSHR P16473 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 1/20 0.54
CTRB1 P17538 1/20 0.53
GFER P55789 1/20 0.53
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
FKBP1A P62942 2/20 0.51
HSD17B10 Q99714 1/20 0.51
CTSK P43235 1/20 0.51
PRCP P42785 1/20 0.51

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
SCHEMBL4228972 1.00 KMT2A (0.59) KMT2AMEN1KLK7NPSR1LMNA
SCHEMBL4229779 0.90 FKBP1A (0.57) KMT2AMEN1NPSR1LMNATSHR
SCHEMBL4229783 0.90 FKBP1A (0.57) KMT2AMEN1NPSR1LMNATSHR
SCHEMBL31420576 0.89 PRCP (0.58) KMT2AMEN1KLK7NPSR1LMNA
SCHEMBL5494817 0.86 KMT2A (0.58) KMT2AMEN1KLK7NPSR1LMNA
SCHEMBL13745767 0.86 KMT2A (0.58) KMT2AMEN1KLK7NPSR1LMNA
SCHEMBL159104 0.85 KLK7 (0.66) KMT2AMEN1KLK7FKBP1A
SCHEMBL159105 0.85 KLK7 (0.66) KMT2AMEN1KLK7FKBP1A
SCHEMBL5970730 0.85 KLK7 (0.66) KMT2AMEN1KLK7FKBP1A
SCHEMBL16611343 0.85 CTRB1 (0.54) KMT2AMEN1NPSR1LMNATSHR

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-20090105091-A1 Modified Amino Acids TECHNISCHE UNIVERSITAT WIEN (AT) 2009-04-23 US disclosed
EP-1826199-A1 Modified amino acids Technische Universität Wien (AT) 2007-08-29 EP 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-20090105091-A1 Modified Amino Acids SLC1A2, NR1H4, OXGR1 KMT2A 1541/4885MEN1 3153/4885KLK7 3794/4885

“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.