SCHEMBL846827

SCHEMBL846827

CC1(C(=O)OCc2ccccc2)COC(=O)OC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL20848347 0.92 CYP3A4 (0.39) ALDH1A1DDB1CRBNKMT2A
SCHEMBL21011264 0.88 MEN1 (0.42) ALDH1A1DDB1CRBNKMT2A
SCHEMBL847109 0.87 POLB (0.35) ALDH1A1DDB1CRBNKMT2ACA12
SCHEMBL18256732 0.87 NAAA (0.41) ALDH1A1MAPK1KMT2ACA1CA2
SCHEMBL15198823 0.87 NAAA (0.41) ALDH1A1DDB1CRBNMAPK1L3MBTL1
SCHEMBL1256462 0.86 ALDH1A1 (0.51) ALDH1A1DDB1CRBNMAPK1L3MBTL1
SCHEMBL12938576 0.86 POLB (0.38) DDB1CRBNKMT2ACA1CA2
SCHEMBL12938624 0.86 NAAA (0.45) ALDH1A1MAPK1L3MBTL1KMT2ATDP1
SCHEMBL6709368 0.85 ALDH1A1 (0.54) ALDH1A1DDB1CRBNMAPK1L3MBTL1
SCHEMBL20848639 0.84 ALDH1A1 (0.39) ALDH1A1DDB1CRBNMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11926693-B2 Chemical compounds with perfluoroaryl groups that can facilitate post-synthesis functionalization INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2024-03-12 US disclosed
US-11890342-B2 Stimulus-responsive micellar carrier INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2024-02-06 US disclosed
US-11690380-B2 Antimicrobial guanidinium and thiouronium functionalized polymers CORAL BAY II, LLC (US) 2023-07-04 US disclosed
US-11690380-B2 Antimicrobial guanidinium and thiouronium functionalized polymers CORAL BAY II, LLC (US) 2023-07-04 US disclosed
US-20230009671-A1 AI ASSISTED CYCLIC CARBONATE MONOMER SYNTHESIS INTERNATIONAL BUSINESS MACHINES CORPORATION 2023-01-12 US disclosed
US-11286341-B2 Ring-opening polymerizations using a flow reactor INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2022-03-29 US disclosed
US-11180608-B2 Biodegradable polymers, complexes thereof for gene therapeutics and drug delivery, and methods related thereto INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2021-11-23 US disclosed
US-20210324133-A1 CHEMICAL COMPOUNDS WITH PERFLUOROARYL GROUPS THAT CAN FACILITATE POST-SYNTHESIS FUNCTIONALIZATION INTERNATIONAL BUSINESS MACHINES CORPORATION 2021-10-21 US disclosed
US-11149114-B2 Biodegradable polymers, complexes thereof for gene therapeutics and drug delivery, and methods related thereto INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2021-10-19 US disclosed
US-11084897-B2 Chemical compounds with perfluoroaryl groups that can facilitate post-synthesis functionalization INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2021-08-10 US disclosed
US-20100305281-A1 POLYMERS BEARING PENDANT PENTAFLUOROPHENYL ESTER GROUPS, AND METHODS OF SYNTHESIS AND FUNCTIONALIZATION THEREOF INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2010-12-02 US disclosed
US-20100280242-A1 Method of Preparing Cyclic Carbonates, Cyclic Carbamates, Cyclic Ureas, Cyclic Thiocarbonates, Cyclic Thiocarbamates, and Cyclic Dithiocarbonates INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2010-11-04 US disclosed
US-20100280242-A1 Method of Preparing Cyclic Carbonates, Cyclic Carbamates, Cyclic Ureas, Cyclic Thiocarbonates, Cyclic Thiocarbamates, and Cyclic Dithiocarbonates INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2010-11-04 US disclosed
US-20100280242-A1 Method of Preparing Cyclic Carbonates, Cyclic Carbamates, Cyclic Ureas, Cyclic Thiocarbonates, Cyclic Thiocarbamates, and Cyclic Dithiocarbonates INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2010-11-04 US disclosed
US-20090297609-A1 Method of Biomolecule Immobilization On Polymers Using Click-Type Chemistry THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2009-12-03 US disclosed
US-20090297609-A1 Method of Biomolecule Immobilization On Polymers Using Click-Type Chemistry THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2009-12-03 US disclosed
US-20090298139-A1 Method for Polymer Synthesis Using Microfluidic Enzymatic Cascade AIR FORCE, UNITED STATES 2009-12-03 US disclosed
EP-1904553-A1 METHOD OF BIOMOLECULE IMMOBILIZATION ON POLYMERS USING CLICK-TYPE CHEMISTRY Shoichet, Molly S. (CA) 2008-04-02 EP disclosed
WO-2007100831-A2 METHOD FOR POLYMER SYNTHESIS USING MICROFLUIDIC ENZYMATIC CASCADE TUFTS UNIVERSITY (US) 2007-09-07 WO disclosed
WO-2007003054-A1 METHOD OF BIOMOLECULE IMMOBILIZATION ON POLYMERS USING CLICK-TYPE CHEMISTRY SHOICHET MOLLY S (CA) 2007-01-11 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 (8 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-11149114-B2 Biodegradable polymers, complexes thereof for gene therapeutics and drug delivery, and methods related thereto DCLRE1A, ODC1, MRTO4 ALDH1A1 555/4885DDB1 804/4885CRBN 1865/4885
US-11180608-B2 Biodegradable polymers, complexes thereof for gene therapeutics and drug delivery, and methods related thereto DCLRE1A, ODC1, MRTO4 ALDH1A1 555/4885DDB1 804/4885CRBN 1865/4885
US-20090297609-A1 Method of Biomolecule Immobilization On Polymers Using Click-Type Chemistry CD44, PTMS, MB ALDH1A1 949/4885DDB1 1554/4885CRBN 244/4885
US-11690380-B2 Antimicrobial guanidinium and thiouronium functionalized polymers PUF60, CAPG, GMPS ALDH1A1 4488/4885DDB1 1493/4885CRBN 2667/4885
US-20230009671-A1 AI ASSISTED CYCLIC CARBONATE MONOMER SYNTHESIS XDH, PAM, PCNA ALDH1A1 2895/4885DDB1 720/4885CRBN 2370/4885
US-20100280242-A1 Method of Preparing Cyclic Carbonates, Cyclic Carbamates, Cyclic Ureas, Cyclic Thiocarbonates, Cyclic Thiocarbamates, and Cyclic Dithiocarbonates CPS1, TST, CTH ALDH1A1 3438/4885DDB1 502/4885CRBN 998/4885
US-20100305281-A1 POLYMERS BEARING PENDANT PENTAFLUOROPHENYL ESTER GROUPS, AND METHODS OF SYNTHESIS AND FUNCTIONALIZATION THEREOF PFAS, PAM, PCNA ALDH1A1 618/4885DDB1 3354/4885CRBN 514/4885
US-11890342-B2 Stimulus-responsive micellar carrier CASR, LRBA, HCAR1 ALDH1A1 4717/4885DDB1 624/4885CRBN 2309/4885

“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.