SCHEMBL991216

SCHEMBL991216

CCCCCCCCCCCCCCCCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 6/20 0.63
NAALAD2 Q9Y3Q0 4/20 0.60
JAK2 O60674 1/20 0.56
NQO1 P15559 1/20 0.56
NR1H2 P55055 1/20 0.54
TTR P02766 1/20 0.53
DRD1 P21728 4/20 0.51
DRD2 P14416 3/20 0.51
KEAP1 Q14145 1/20 0.51
FOLH1 Q04609 1/20 0.51
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
SMAD3 P84022 1/20 0.50
KMT2A Q03164 1/20 0.50
PRMT1 Q99873 1/20 0.50

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
SCHEMBL29353892 1.00 FTO (0.63) FTONAALAD2JAK2NQO1NR1H2
SCHEMBL15744221 0.99 FTO (0.64) FTONAALAD2JAK2NQO1NR1H2
SCHEMBL17956697 0.93 FTO (0.69) FTONAALAD2JAK2NQO1NR1H2
SCHEMBL29538836 0.93 FTO (0.54) FTONAALAD2JAK2NQO1NR1H2
SCHEMBL16602999 0.90 NAALAD2 (0.60) FTONAALAD2JAK2NQO1NR1H2
SCHEMBL18872864 0.90 FTO (0.65) FTONAALAD2JAK2NQO1NR1H2
SCHEMBL8893358 0.89 NAALAD2 (0.62) FTONAALAD2JAK2NQO1NR1H2
SCHEMBL15045059 0.89 FTO (0.61) FTONAALAD2JAK2NQO1NR1H2
SCHEMBL22863319 0.88 NAALAD2 (0.63) FTONAALAD2JAK2NQO1NR1H2
SCHEMBL17037385 0.88 FTO (0.66) FTONAALAD2JAK2NQO1NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773936-A4 UNAGGLOMERATED CORE/SHELL NANOCOMPOSITE PARTICLES PENN STATE RES FOUND (US) 2008-10-08 EP claimed
EP-1773936-A2 UNAGGLOMERATED CORE/SHELL NANOCOMPOSITE PARTICLES THE PENN STATE RESEARCH FOUNDATION (US) 2007-04-18 EP claimed
US-20050281884-A1 Unagglomerated core/shell nanocomposite particles THE PENN STATE RESEARCH FOUNDATION (US) 2005-12-22 US claimed
WO-2005118702-A2 UNAGGLOMERATED CORE/SHELL NANOCOMPOSITE PARTICLES THE PENN STATE RESEARCH FOUNDATION (US) 2005-12-15 WO claimed
EP-1773936-B1 UNAGGLOMERATED CORE/SHELL NANOCOMPOSITE PARTICLES PENN STATE RES FOUND (US) 2015-09-02 EP disclosed
EP-2448864-A2 SILICA-BASED PARTICLE COMPOSITION Nalco Company (US) 2012-05-09 EP disclosed
WO-2011028497-A2 CALCIUM-BASED CARRIER PARTICLES NALCO COMPANY (US) 2011-03-10 WO disclosed
WO-2011028469-A2 CALCIUM BASED CARRIER PARTICLES NALCO COMPANY (US) 2011-03-10 WO disclosed
WO-2011028496-A2 CALCIUM BASED CARRIER PARTICLES NALCO COMPANY (US) 2011-03-10 WO disclosed
US-20110046238-A1 CALCIUM BASED CARRIER PARTICLES NANOSPECIALTIES, LLC 2011-02-24 US disclosed
US-20110046239-A1 CALCIUM BASED CARRIER PARTICLES NANOSPECIALTIES, LLC 2011-02-24 US disclosed
US-20110046241-A1 CALCIUM BASED CARRIER PARTICLES NANOSPECIALTIES, LLC 2011-02-24 US disclosed
WO-2011008492-A2 SILICA-BASED PARTICLE COMPOSITION NALCO COMPANY (US) 2011-01-20 WO disclosed
WO-2011008484-A2 SILICA-BASED PARTICLE COMPOSITION NALCO COMPANY (US) 2011-01-20 WO disclosed
US-20100330366-A1 SILICA-BASED PARTICLE COMPOSITION NANOSPECIALTIES, LLC 2010-12-30 US disclosed
US-20100331431-A1 SILICA-BASED PARTICLE COMPOSITION NALCO COMPANY 2010-12-30 US disclosed
EP-1773936-A4 UNAGGLOMERATED CORE/SHELL NANOCOMPOSITE PARTICLES PENN STATE RES FOUND (US) 2008-10-08 EP disclosed
EP-1773936-A2 UNAGGLOMERATED CORE/SHELL NANOCOMPOSITE PARTICLES THE PENN STATE RESEARCH FOUNDATION (US) 2007-04-18 EP disclosed
US-20050281884-A1 Unagglomerated core/shell nanocomposite particles THE PENN STATE RESEARCH FOUNDATION (US) 2005-12-22 US disclosed
WO-2005118702-A2 UNAGGLOMERATED CORE/SHELL NANOCOMPOSITE PARTICLES THE PENN STATE RESEARCH FOUNDATION (US) 2005-12-15 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-20110046241-A1 CALCIUM BASED CARRIER PARTICLES ORAI1, CA7, ACP1 FTO 1394/4885NAALAD2 4008/4885JAK2 2614/4885
US-20110046238-A1 CALCIUM BASED CARRIER PARTICLES ORAI1, CA7, ACP1 FTO 1394/4885NAALAD2 4008/4885JAK2 2614/4885
US-20110046239-A1 CALCIUM BASED CARRIER PARTICLES ORAI1, CA7, ACP1 FTO 1394/4885NAALAD2 4008/4885JAK2 2614/4885

“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.