SCHEMBL3310085

SCHEMBL3310085

CC(C)(Br)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
BCL9 O00512 1/20 0.55
CTNNB1 P35222 1/20 0.55
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KMT2A Q03164 2/20 0.50
PKM P14618 1/20 0.50
MGLL Q99685 2/20 0.49
NR1H4 Q96RI1 1/20 0.48
MAPT P10636 2/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 2/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
THRB P10828 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CES2 O00748 1/20 0.46

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
SCHEMBL4941164 0.88 ELANE (0.61) GAABCL9CTNNB1ALDH1A1SMN1; SMN2
SCHEMBL21853704 0.85 GAA (0.57) GAABCL9CTNNB1ALDH1A1SMN1; SMN2
SCHEMBL27301103 0.85 GAA (0.57) GAABCL9CTNNB1ALDH1A1SMN1; SMN2
SCHEMBL15908462 0.83 BCL9 (0.56) GAABCL9CTNNB1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL27501754 0.83 GAA (0.55) GAABCL9CTNNB1ALDH1A1SMN1; SMN2
SCHEMBL20931042 0.82 BCL9 (0.59) GAABCL9CTNNB1ALDH1A1SMN1; SMN2
SCHEMBL14495188 0.82 BCL9 (0.59) GAABCL9CTNNB1ALDH1A1SMN1; SMN2
SCHEMBL8610510 0.82 GAA (0.54) GAABCL9CTNNB1ALDH1A1SMN1; SMN2
SCHEMBL734833 0.81 GAA (0.56) GAABCL9CTNNB1ALDH1A1SMN1; SMN2
SCHEMBL9488809 0.81 GAA (0.56) GAABCL9CTNNB1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100103358-A1 HYBRID POLYMER MATERIALS FOR LIQUID CRYSTAL ALIGNMENT LAYERS ELSICON, INC. (US) 2010-04-29 US disclosed
US-20100103358-A1 HYBRID POLYMER MATERIALS FOR LIQUID CRYSTAL ALIGNMENT LAYERS ELSICON, INC. (US) 2010-04-29 US disclosed
US-20100103358-A1 HYBRID POLYMER MATERIALS FOR LIQUID CRYSTAL ALIGNMENT LAYERS ELSICON, INC. (US) 2010-04-29 US disclosed
US-7632875-B2 Hybrid polymer materials for liquid crystal alignment layers ELSICON, INC. (US) 2009-12-15 US disclosed
US-7632875-B2 Hybrid polymer materials for liquid crystal alignment layers ELSICON, INC. (US) 2009-12-15 US disclosed
US-7632875-B2 Hybrid polymer materials for liquid crystal alignment layers ELSICON, INC. (US) 2009-12-15 US disclosed
US-20080274074-A1 Method for Controlled Free Radical Polymerization or Copolymerization of Methacrylic and/or Methacrylate Monomers or Exclusively Methacrylic and/or Methacrylate Copolymers ARKEMA FRANCE (FR) 2008-11-06 US disclosed
US-20060051524-A1 Hybrid polymer materials for liquid crystal alignment layers ELSICON, INC. 2006-03-09 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 (1 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-20080274074-A1 Method for Controlled Free Radical Polymerization or Copolymerization of Methacrylic and/or Methacrylate Monomers or Exclusively Methacrylic and/or Methacrylate Copolymers PRMT9, MMAB, PRMT8 GAA 4570/4885BCL9 250/4885CTNNB1 4880/4885

“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.