SCHEMBL4254429

SCHEMBL4254429

COC(=O)/C=C(/Oc1ccc([N+](=O)[O-])cc1)C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.51
BCL9 O00512 1/20 0.49
CTNNB1 P35222 1/20 0.49
MGLL Q99685 2/20 0.47
PTGS2 P35354 1/20 0.46
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 4/20 0.45
MEN1 O00255 2/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
PKM P14618 1/20 0.44
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
THRB P10828 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44

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
SCHEMBL4251631 1.00 GAA (0.51) GAABCL9CTNNB1MGLLPTGS2
SCHEMBL4251629 1.00 GAA (0.51) GAABCL9CTNNB1MGLLPTGS2
SCHEMBL4246720 0.83 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTMEN1HTT
SCHEMBL4256581 0.83 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTMEN1HTT
SCHEMBL4246726 0.83 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTMEN1HTT
SCHEMBL17695797 0.81 GAA (0.57) GAABCL9CTNNB1MGLLPTGS2
SCHEMBL7061678 0.81 GAA (0.60) GAABCL9CTNNB1MGLLPTGS2
SCHEMBL29082928 0.81 ALDH1A1 (0.51) GAABCL9CTNNB1MGLLPTGS2
SCHEMBL4250579 0.79 BCL9 (0.52) GAABCL9CTNNB1MGLLPTGS2
SCHEMBL4253501 0.79 GAA (0.48) GAABCL9CTNNB1MGLLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101497571-B Process for producing chromone compound SUMITOMO CO LTD 2012-07-04 CN disclosed
CN-1911896-B Process for producing benzopyrone compound SUMITOMO CHEMICAL CO 2010-09-15 CN disclosed
EP-2105432-A1 Process for Producing Chromone Compound Sumitomo Chemical Company, Limited (JP) 2009-09-30 EP disclosed
EP-2105431-A1 Process for Producing Chromone Compound Sumitomo Chemical Company, Limited (JP) 2009-09-30 EP disclosed
CN-101497571-A Process for producing chromone compound SUMITOMO CHEMICAL CO (JP) 2009-08-05 CN disclosed
CN-100509751-C Process for producing benzopyranone compound SUMITOMO CHEMICAL CO (JP) 2009-07-08 CN disclosed
EP-1867626-A2 Process for producing chromone compound Sumitomo Chemical Company, Limited (JP) 2007-12-19 EP disclosed
CN-1911896-A Process for producing chromone compound SUMITOMO CHEMICAL CO (JP) 2007-02-14 CN disclosed
US-20060217565-A1 Process for producing chromone compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-09-28 US disclosed
US-7094914-B2 Process for producing chromone compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-08-22 US disclosed
CN-1649824-A Process for producing benzopyranone compound SUMITOMO CHEMICAL CO (JP) 2005-08-03 CN disclosed
US-20050085664-A1 Process for producing chromone compound SUMITOMO CHEMICAL COMPANY, LMITED (JP) 2005-04-21 US disclosed
EP-1479667-A1 PROCESS FOR PRODUCING CHROMONE COMPOUND Sumitomo Chemical Company, Limited (JP) 2004-11-24 EP 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 (2 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-20050085664-A1 Process for producing chromone compound ENY2, CDY1; CDY1B, CDYL GAA 2812/4885BCL9 4330/4885CTNNB1 1544/4885
US-20060217565-A1 Process for producing chromone compound ENY2, CDY1; CDY1B, CDYL GAA 2812/4885BCL9 4330/4885CTNNB1 1544/4885

“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.