SCHEMBL12085980

SCHEMBL12085980

CC(C)(C)NCC(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 7/20 0.46
▸ ADRB1 P08588 6/20 0.46
▸ ADRB3 P13945 4/20 0.46
▸ CYP2D6 P10635 2/20 0.45
▸ IDO1 P14902 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ AGXT P21549 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 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
SCHEMBL3079998 0.72 TSHR (0.48) CYP2D6IDO1KMT2AAGXTTSHR
SCHEMBL3276722 0.72 TSHR (0.52) CYP2D6IDO1KMT2AAGXTTSHR
SCHEMBL12191546 0.71 TSHR (0.46) CYP2D6IDO1KMT2AAGXTTSHR
SCHEMBL12085925 0.70 TSHR (0.38) CYP2D6IDO1KMT2AAGXTTSHR
SCHEMBL12162627 0.69 TSHR (0.44) CYP2D6IDO1KMT2AAGXTTSHR
SCHEMBL16326323 0.69 TSHR (0.44) CYP2D6IDO1KMT2AAGXTTSHR
SCHEMBL11911980 0.69 TSHR (0.44) CYP2D6IDO1KMT2AAGXTTSHR
SCHEMBL2640220 0.69 TSHR (0.44) CYP2D6IDO1KMT2AAGXTTSHR
SCHEMBL2874130 0.69 TSHR (0.44) CYP2D6IDO1KMT2AAGXTTSHR
SCHEMBL2644673 0.69 TSHR (0.48) CYP2D6IDO1KMT2AAGXTHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779008-B2 Polymeric micelles for drug delivery INTEZYNE TECHNOLOGIES, INC. (US) 2014-07-15 — — US disclosed
US-20130195987-A1 POLYMERIC MICELLES FOR DRUG DELIVERY INTEZYNE TECHNOLOGIES, INC. (US) 2013-08-01 — — 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-8066824-B2 Covalent modification of metal surfaces INTEZYNE TECHNOLOGIES, INC. (US) 2011-11-29 — — 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-20100136063-A1 Immunotherapy for Treatment of Amyloid-Related Disorders Using Encapsulated Beta-Amyloid Peptides UNIVERSITY OF SOUTH FLORIDA (US) 2010-06-03 — — 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-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-20080035243-A1 Covalent modification of metal surfaces INTEZYNE TECHNOLOGIES (US) 2008-02-14 — — US 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 (7 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-20100136063-A1 Immunotherapy for Treatment of Amyloid-Related Disorders Using Encapsulated Beta-Amyloid Peptides IAPP, APP, TTR ADRB2 2577/4885ADRB1 2254/4885ADRB3 1983/4885
US-20080035243-A1 Covalent modification of metal surfaces ITGAL, ITGA1, ITGA5 ADRB2 4777/4885ADRB1 4771/4885ADRB3 4518/4885
US-20080274965-A1 ENCAPSULATED AMYLOID-BETA PEPTIDES IAPP, APP, TTR ADRB2 2047/4885ADRB1 1686/4885ADRB3 1386/4885
US-20130195987-A1 POLYMERIC MICELLES FOR DRUG DELIVERY ABCB4, CLTB, CD47 ADRB2 2586/4885ADRB1 1264/4885ADRB3 1501/4885
US-20090092554-A1 ENCAPSULATED CONTRAST AGENTS LIPA, LPXN, CD47 ADRB2 2274/4885ADRB1 2437/4885ADRB3 1527/4885
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 ADRB2 2772/4885ADRB1 2444/4885ADRB3 3198/4885
US-20100159020-A1 POLYMERIC MICELLES FOR DRUG DELIVERY ABCB4, CLTB, CD47 ADRB2 2586/4885ADRB1 1264/4885ADRB3 1501/4885

“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.

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