SCHEMBL6340898

SCHEMBL6340898

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 12/20 0.46
▸ MAPT P10636 12/20 0.46
▸ KDM4E B2RXH2 10/20 0.46
▸ RECQL P46063 7/20 0.46
▸ KMT2A Q03164 6/20 0.46
▸ BLM P54132 6/20 0.46
▸ LMNA P02545 5/20 0.46
▸ TSHR P16473 5/20 0.46
▸ HSD17B10 Q99714 5/20 0.46
▸ MTOR P42345 4/20 0.46
▸ HIF1A Q16665 4/20 0.46
▸ POLB P06746 4/20 0.46
▸ APEX1 P27695 4/20 0.46
▸ NFKB1 P19838 3/20 0.46
▸ ALOX15 P16050 2/20 0.46
▸ THPO P40225 1/20 0.46
▸ ADRB2 P07550 6/20 0.45
▸ ADRB1 P08588 5/20 0.45
▸ MAPK1 P28482 5/20 0.45
▸ MEN1 O00255 5/20 0.45

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
SCHEMBL6346991 0.83 TDP1 (0.51) TDP1MAPTKDM4ERECQLKMT2A
SCHEMBL21198878 0.80 TDP1 (0.45) TDP1MAPTKDM4ERECQLKMT2A
SCHEMBL6340363 0.78 TDP1 (0.43) TDP1MAPTKDM4ERECQLKMT2A
SCHEMBL3647916 0.77 ACHE (0.47) LMNAPOLBHPGDALDH1A1CYP2C19
SCHEMBL29430086 0.77 TDP1 (0.53) TDP1MAPTKDM4ERECQLKMT2A
SCHEMBL28241555 0.77 TDP1 (0.53) TDP1MAPTKDM4ERECQLKMT2A
SCHEMBL3642653 0.76 FFAR2 (0.50) KMT2ABLMLMNATSHRPOLB
SCHEMBL8502013 0.75 TDP1 (0.56) TDP1MAPTKDM4ERECQLKMT2A
Hydrochloric Acid SCHEMBL10340416 0.75 KDM4E (0.55) TDP1MAPTKDM4ERECQLKMT2A
SCHEMBL3036448 0.75 EPHX1 (0.59) LMNAHSD17B10CYP1A2ALDH1A1CYP2C19

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 TDP1 2098/4885MAPT 2279/4885KDM4E 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.

Send feedback