SCHEMBL4719781

SCHEMBL4719781

CCOc1ccc(C2OCCO2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.54
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.43
LTA4H P09960 2/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
BACE1 P56817 1/20 0.42
FKBP1A P62942 1/20 0.41
HPGD P15428 2/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL11978140 0.93 NQO1 (0.50) NQO1MAOAMAOBTSHRTDP1
SCHEMBL4723525 0.85 ALDH1A1 (0.50) MAOAMAOBLMNALTA4HALDH1A1
SCHEMBL4723329 0.85 NPC1 (0.49) MAOAMAOBLMNALTA4HALDH1A1
SCHEMBL13558668 0.82 NPC1 (0.51) NQO1MAOAMAOBTSHRTDP1
SCHEMBL10450818 0.82 NQO1 (0.42) NQO1MAOAMAOBTSHRTDP1
SCHEMBL10757930 0.81 NR5A1 (0.53) MAOAMAOBTSHRLMNALTA4H
SCHEMBL10450012 0.81 NQO1 (0.41) NQO1MAOAMAOBTSHRTDP1
SCHEMBL9778777 0.80 DRD2 (0.43) ALDH1A1SMN1; SMN2RAB9AL3MBTL1KDM4E
SCHEMBL9778655 0.80 KDM4E (0.44) MAOAMAOBMAPTKDM4EGAA
SCHEMBL10349590 0.80 NQO1 (0.44) NQO1MAOAMAOBTSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9585382-B2 Composition comprising a pesticide and an acetal solvent BASF SE (DE) 2017-03-07 US disclosed
US-9585382-B2 Composition comprising a pesticide and an acetal solvent BASF SE (DE) 2017-03-07 US disclosed
EP-2701502-B1 COMPOSITION COMPRISING A PESTICIDE AND AN ACETALIC SOLVENT BASF SE (DE) 2015-08-05 EP disclosed
US-20120277101-A1 Composition Comprising a Pesticide and an Acetal Solvent BASF SE (DE) 2012-11-01 US disclosed
US-8263665-B2 Polymeric micelles for drug delivery INTEZYNE TECHNOLOGIES, INC. (US) 2012-09-11 US disclosed
US-8258190-B2 Encapsulated contrast agents INTEZYNE TECHNOLOGIES, INC. (US) 2012-09-04 US disclosed
US-20100324259-A1 HYBRID BLOCK COPOLYMER MICELLES WITH MIXED STEREOCHEMISTRY FOR ENCAPSULATION OF HYDROPHOBIC AGENTS INTEZYNE TECHNOLOGIES, INC. (US) 2010-12-23 US disclosed
US-7799339-B2 Copolymer of crosslinkable or crosslinked poly(amino acid block), and a hydrophobic D,L-mixed poly(amino acid) block; an inner core, crosslinked outer core, a hydrophilic shell; improved in vivo circulation time; drug delivery INTEZYNE TECHNOLOGIES, INC. (US) 2010-09-21 US disclosed
US-20100159020-A1 POLYMERIC MICELLES FOR DRUG DELIVERY INTEZYNE TECHNOLOGIES, INC. (US) 2010-06-24 US disclosed
US-7638558-B2 drug loaded micelle of a triblock polymer tert-butylphenylsilylpropene-polyethylene glycol-b-poly(tert-butylaspartic acid-b-polyphenylalanine-copoly( tert-buyltyrosine) has a drug-loaded inner core, a crosslinked outer core, and a hydrophilic shell INTEZYNE TECHNOLOGIES, INC. (US) 2009-12-29 US disclosed
US-7618944-B2 Encapsulating in micelle which is a block copolymer containing hydrophilic and hydrophobic blocks INTEZYNE TECHNOLOGIES, INC. (US) 2009-11-17 US disclosed
US-7612153-B2 conjugate polymer drugs; endcapped polyethers; nontoxic, biocompatible, non-immunogenic, soluble in water and other solvents INTEZYNE TECHNOLOGIES, INC. (US) 2009-11-03 US disclosed
US-7601796-B2 polyamideether copolymer has a hydrophilic polyethylene glycol and a hydrophobic polyamino acid blocks; modified polyethylene glycol homopolymer; forming conjugate polymer drug; resin peptides; use in pharmaceutically acceptable compositions INTEZYNE TECHNOLOGIES, INC. (US) 2009-10-13 US disclosed
US-20090092554-A1 ENCAPSULATED CONTRAST AGENTS INTEZYNE TECHNOLOGIES, INC. (US) 2009-04-09 US disclosed
US-20080274173-A1 Copolymer of crosslinkable or crosslinked poly(amino acid block), and a hydrophobic D,L-mixed poly(amino acid) block; an inner core, crosslinked outer core, a hydrophilic shell; improved in vivo circulation time; drug delivery INTEZYNE TECHNOLOGIES, INC. (US) 2008-11-06 US disclosed
US-20080274965-A1 ENCAPSULATED AMYLOID-BETA PEPTIDES INTEZYNE TECHNOLOGIES, INC. (US) 2008-11-06 US disclosed
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC. 2008-07-24 US disclosed
EP-1874780-A1 4-PIPERAZINYLTHIENO[2,3-D]PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2008-01-09 EP disclosed
WO-2006100591-A1 4-PIPERAZINNYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 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 (6 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-20120277101-A1 Composition Comprising a Pesticide and an Acetal Solvent DDT, APH1B, PRDX2 NQO1 1440/4885MAOA 754/4885MAOB 72/4885
US-20080274965-A1 ENCAPSULATED AMYLOID-BETA PEPTIDES IAPP, APP, TTR NQO1 4414/4885MAOA 2410/4885MAOB 1843/4885
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors TBXA2R, P2RY4, PF4 NQO1 1215/4885MAOA 559/4885MAOB 517/4885
US-20090092554-A1 ENCAPSULATED CONTRAST AGENTS LIPA, LPXN, CD47 NQO1 3342/4885MAOA 2774/4885MAOB 3142/4885
US-20080274173-A1 Copolymer of crosslinkable or crosslinked poly(amino acid block), and a hydrophobic D,L-mixed poly(amino acid) block; an inner core, crosslinked outer core, a hydrophilic shell; improved in vivo circulation time; drug delivery CLTB, SLC1A5, CLTA NQO1 4749/4885MAOA 2825/4885MAOB 1229/4885
US-20100159020-A1 POLYMERIC MICELLES FOR DRUG DELIVERY ABCB4, CLTB, CD47 NQO1 4610/4885MAOA 3781/4885MAOB 3383/4885

“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.