SCHEMBL3020258

SCHEMBL3020258

CC(C)(C)OC(=O)NCCCCNC(=O)OC(C)(C)C

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.81
MEN1 O00255 1/20 0.69
GAA P10253 1/20 0.69
KMT2A Q03164 1/20 0.69
MAOA P21397 1/20 0.68
MAOB P27338 1/20 0.68
CA1 P00915 7/20 0.64
CA2 P00918 7/20 0.64
CA12 O43570 6/20 0.64
CA9 Q16790 6/20 0.64
EPHX1 P07099 2/20 0.50
HTT P42858 1/20 0.49
STK17B O94768 1/20 0.48
STK17A Q9UEE5 1/20 0.48
CYP3A4 P08684 1/20 0.47
DRD2 P14416 1/20 0.46

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
SCHEMBL140853 0.98 TDP1 (0.85) TDP1MEN1GAAKMT2AMAOA
SCHEMBL343629 0.98 TDP1 (0.85) TDP1MEN1GAAKMT2AMAOA
SCHEMBL343419 0.98 TDP1 (0.85) TDP1MEN1GAAKMT2AMAOA
SCHEMBL136815 0.98 TDP1 (0.85) TDP1MEN1GAAKMT2AMAOA
SCHEMBL137629 0.98 TDP1 (0.85) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3025184 0.98 TDP1 (0.85) TDP1MEN1GAAKMT2AMAOA
SCHEMBL134329 0.98 TDP1 (0.85) TDP1MEN1GAAKMT2AMAOA
SCHEMBL5162656 0.98 TDP1 (0.85) TDP1MEN1GAAKMT2AMAOA
SCHEMBL569251 0.95 TDP1 (0.74) TDP1MEN1GAAKMT2AMAOA
SCHEMBL14242963 0.94 TDP1 (0.72) TDP1MEN1GAAKMT2AMAOA

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240345094-A1 DOUBLE FRAGMENTATION ISOBARIC TAGGING SAINT LOUIS UNIVERSITY (US) 2024-10-17 US disclosed
CN-114599662-A Neomycin-based compounds and pharmaceutical uses thereof 蔚蓝海岸大学 2022-06-07 CN disclosed
US-9872918-B2 Hydroxyl-polymer-drug-protein conjugates MERSANA THERAPEUTICS, INC. (US) 2018-01-23 US disclosed
US-9770519-B2 Protein-polymer-drug conjugates MERSANA THERAPEUTICS, INC. (US) 2017-09-26 US disclosed
US-20170119896-A1 TERMINALLY MODIFIED POLYMERS AND CONJUGATES THEREOF MERSANA THERAPEUTICS, INC. 2017-05-04 US disclosed
US-8715635-B2 Frictionless molecular rotary motors TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2014-05-06 US disclosed
US-8658346-B2 Pattern forming process, chemically amplified positive resist composition, and resist-modifying composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-02-25 US disclosed
US-8426105-B2 Resist-modifying composition and pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-04-23 US disclosed
US-8426105-B2 Resist-modifying composition and pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-04-23 US disclosed
US-8329384-B2 Resist-modifying composition and pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-7531676-B2 Lipids CELLTECH R & D LIMITED (GB) 2009-05-12 US disclosed
WO-2008096360-A2 FRICTIONLESS MOLECULAR ROTARY MOTORS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2008-08-14 WO disclosed
WO-2008096360-A2 FRICTIONLESS MOLECULAR ROTARY MOTORS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2008-08-14 WO disclosed
US-20060148761-A1 Lipids CELLTECH R & D LIMITED 2006-07-06 US disclosed
US-20040024220-A1 Lipids CELLTECH R & D LIMITED 2004-02-05 US disclosed
US-6583301-B1 Bipolar; form complexes with polyanions; delivering bioactive substances such as nucleic acids to cells in vitro and in vivo CELLTECH R & D LIMITED (GB) 2003-06-24 US disclosed
EP-1204428-A2 TARGETED LIPID PARTICLES Celltech R&D Limited (GB) 2002-05-15 EP disclosed
WO-2001012154-A2 TARGETED LIPID PARTICLES CELLTECH R&D LIMITED (GB) 2001-02-22 WO disclosed
EP-1070047-A2 LIPIDS Celltech Chiroscience Limited (GB) 2001-01-24 EP disclosed
WO-1999052858-A2 LIPIDS CELLTECH THERAPEUTICS LIMITED (GB) 1999-10-21 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 (3 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-20040024220-A1 Lipids PHOSPHO1, FABP7, MBOAT7 TDP1 1253/4885MEN1 1304/4885GAA 858/4885
US-20060148761-A1 Lipids PHOSPHO1, FABP7, MBOAT7 TDP1 1253/4885MEN1 1304/4885GAA 858/4885
US-20170119896-A1 TERMINALLY MODIFIED POLYMERS AND CONJUGATES THEREOF MALT1, ALG1, PRMT3 TDP1 1452/4885MEN1 1055/4885GAA 1601/4885

“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.