SCHEMBL4396674

SCHEMBL4396674

CC(C)(C)OC(=O)CCc1ccc(CCCCCCCCC(=O)N[C@@H](CCC(=O)OCc2ccccc2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.43
CTSG P08311 1/20 0.43
CMA1 P23946 1/20 0.43
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
CASP1 P29466 2/20 0.42
PLA2G2A P14555 1/20 0.41
TLR2 O60603 1/20 0.41
TLR1 Q15399 1/20 0.41
ALOX5 P09917 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL24588993 0.92 KMT2A (0.49) KMT2AMEN1ALDH1A1HPGDTLR2
SCHEMBL4187842 0.91 KMT2A (0.44) KMT2AMEN1ALDH1A1HPGDMMP1
SCHEMBL4179492 0.91 KMT2A (0.44) KMT2AMEN1ALDH1A1HPGDMMP1
SCHEMBL15908890 0.88 PLA2G2A (0.43) KMT2AMMP1MMP3MMP9CTSG
SCHEMBL28931266 0.88 KMT2A (0.50) KMT2AMEN1ALDH1A1HPGDTLR2
SCHEMBL28931267 0.88 KMT2A (0.50) KMT2AMEN1ALDH1A1HPGDTLR2
SCHEMBL15387284 0.87 KMT2A (0.58) KMT2AMEN1ALDH1A1HPGDFAAH
SCHEMBL15387350 0.87 KMT2A (0.58) KMT2AMEN1ALDH1A1HPGDFAAH
SCHEMBL15387285 0.87 KMT2A (0.58) KMT2AMEN1ALDH1A1HPGDFAAH
SCHEMBL557437 0.86 KMT2A (0.48) KMT2AMEN1ALDH1A1HPGDTLR2

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-8796205-B2 Insulin derivative NOVO NORDISK A/S (DK) 2014-08-05 US disclosed
US-20090105121-A1 Insulin Derivative NOVO NORDISK A/S (DK) 2009-04-23 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-20090105121-A1 Insulin Derivative INSR, IAPP, GPR119 KMT2A 4779/4885MEN1 595/4885ALDH1A1 4606/4885

“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.