SCHEMBL6340899

SCHEMBL6340899

CC(=O)N(CC(C)C)c1ccc(O)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 10/20 0.43
BCL2L1 Q07817 6/20 0.43
KDM4E B2RXH2 5/20 0.42
RECQL P46063 5/20 0.42
ALOX15 P16050 5/20 0.42
HIF1A Q16665 4/20 0.42
HSD17B10 Q99714 4/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
MAPK1 P28482 3/20 0.42
KMT2A Q03164 3/20 0.42
USP2 O75604 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
POLB P06746 2/20 0.42
NFKB1 P19838 2/20 0.42
BLM P54132 2/20 0.42
RGS12 O14924 1/20 0.42
THRB P10828 1/20 0.42
PKM P14618 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
SCHEMBL19731898 0.86 MCL1 (0.56) MCL1BCL2L1KDM4EMEN1ALDH1A1
SCHEMBL6346993 0.81 SMN1; SMN2 (0.46) KDM4ERECQLALOX15HIF1AHSD17B10
SCHEMBL19731897 0.79 ALDH1A1 (0.46) MCL1BCL2L1ALDH1A1ITGB1ITGA4
SCHEMBL6905494 0.78 KDM4E (0.43) KDM4ERECQLALOX15HIF1AHSD17B10
SCHEMBL22847929 0.76 MMP2 (0.55) KDM4EMEN1KMT2AITGB1ITGA4
SCHEMBL6340366 0.75 ALDH1A1 (0.46) KDM4ERECQLALOX15HIF1AHSD17B10
SCHEMBL8121494 0.75 ALDH1A1 (0.50) MEN1ALDH1A1KMT2ASMN1; SMN2ITGB1
SCHEMBL9310893 0.75 ALDH1A1 (0.44) MCL1BCL2L1MEN1ALDH1A1MAPK1
SCHEMBL6907182 0.74 PTPN1 (0.41) KDM4ERECQLALOX15HIF1AHSD17B10
SCHEMBL13504040 0.74 QPCT (0.43) MEN1ALDH1A1MAPK1KMT2ASMN1; SMN2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080260-A1 Preparation of prodrugs for selective drug delivery LUMINIDE 2005-04-14 US claimed
US-20050080260-A1 Preparation of prodrugs for selective drug delivery LUMINIDE 2005-04-14 US disclosed
US-6555663-B1 Pharmaceuticals which are activated intracellularly by reaction with cellular electron carriers or free radicals to cause release of a free and active drug molecule MILLS RANDELL LEE (US) 2003-04-29 US disclosed
EP-0414730-B1 Chemical Compounds and pharmaceutical compositions capable of releasing a drug MILLS RANDELL L (US) 1999-12-15 EP disclosed
US-5773592-A COMPRISES A CHEMILUMINESCENT MOIETY, A PHOTOCHROMIC MOIETY AND A BIOLOGICALLY ACTIVE AGENT CAPABLE OF BEING RELEASED MILLS RANDELL LEE (US) 1998-06-30 US disclosed
US-5428163-A Luminides; chemiluminescence; redox system, releasing free drug MILLS RANDELL L (US) 1995-06-27 US disclosed
EP-0414730-A4 LUMINIDE AND MACROLUMINIDE CLASS OF PHARMACEUTICALS 1993-06-16 EP disclosed
EP-0414730-A1 LUMINIDE AND MACROLUMINIDE CLASS OF PHARMACEUTICALS Mills, Randell L. (US) 1991-03-06 EP disclosed
WO-1989009833-A1 LUMINIDE AND MACROLUMINIDE CLASS OF PHARMACEUTICALS MILLS RANDELL L (US) 1989-10-19 WO 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-20050080260-A1 Preparation of prodrugs for selective drug delivery APEH, PAH, ALAD MCL1 411/4885BCL2L1 2305/4885KDM4E 3072/4885

“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.