SCHEMBL3016789

SCHEMBL3016789

C#Cc1ccc(COCC)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.35
TSHR P16473 1/20 0.34
CYP2A6 P11509 1/20 0.34
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
RAB9A P51151 2/20 0.32
USP4 Q13107 1/20 0.31
USP7 Q93009 1/20 0.31
NQO1 P15559 1/20 0.31
POLB P06746 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
ALDH1A1 P00352 1/20 0.31
KCNH2 Q12809 1/20 0.31
NPC1 O15118 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL13183350 0.89 PYCR1 (0.38) L3MBTL1
SCHEMBL26582580 0.84 HDAC8 (0.33) HDAC8TSHRCYP2A6POLBTDP1
SCHEMBL133476 0.82 TSHR (0.48) TSHRCA1CA2CA9NQO1
SCHEMBL17450288 0.80 ACACB (0.33) HDAC8CYP2A6RAB9ATDP1KCNH2
SCHEMBL1534961 0.79 CYP2A6 (0.59) TSHRCYP2A6CA12CA2CA9
SCHEMBL7670026 0.79 RAB9A (0.35) TSHRCYP2A6RAB9AALDH1A1NPC1
SCHEMBL4060946 0.79 PTPN2 (0.36) HDAC8USP4USP7TDP1L3MBTL1
SCHEMBL21323599 0.79 ALOX5 (0.33) HDAC8TSHR
SCHEMBL19131754 0.79 ALDH1A1 (0.34) HDAC8TSHRPOLBALDH1A1
SCHEMBL14349233 0.79 ALDH1A1 (0.34) HDAC8TSHRPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
US-20170088549-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-03-30 US disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 EP disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 EP disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 EP disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 EP 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-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 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-20090092554-A1 ENCAPSULATED CONTRAST AGENTS INTEZYNE TECHNOLOGIES, INC. (US) 2009-04-09 US disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 WO 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

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-20080274965-A1 ENCAPSULATED AMYLOID-BETA PEPTIDES IAPP, APP, TTR HDAC8 4821/4885TSHR 3790/4885CYP2A6 4748/4885
US-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 HDAC8 1902/4885TSHR 4087/4885CYP2A6 94/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 HDAC8 1902/4885TSHR 4087/4885CYP2A6 94/4885
US-20090092554-A1 ENCAPSULATED CONTRAST AGENTS LIPA, LPXN, CD47 HDAC8 3493/4885TSHR 2921/4885CYP2A6 4676/4885
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 HDAC8 4031/4885TSHR 4361/4885CYP2A6 3635/4885
US-20100159020-A1 POLYMERIC MICELLES FOR DRUG DELIVERY ABCB4, CLTB, CD47 HDAC8 2818/4885TSHR 3168/4885CYP2A6 3975/4885

“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.