SCHEMBL4252354

SCHEMBL4252354

CCCCOC(=O)/C=C(\Oc1ccc([N+](=O)[O-])cc1)C(=O)OCCCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.53
BCL9 O00512 1/20 0.52
CTNNB1 P35222 1/20 0.52
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 4/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.45
ALOX12 P18054 1/20 0.45
GAA P10253 1/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FAAH O00519 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HTR2A P28223 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL4252357 1.00 MGLL (0.53) MGLLBCL9CTNNB1ALDH1A1TDP1
SCHEMBL4256738 1.00 MGLL (0.53) MGLLBCL9CTNNB1ALDH1A1TDP1
SCHEMBL4251619 0.96 MGLL (0.54) MGLLBCL9CTNNB1ALDH1A1TDP1
SCHEMBL4249035 0.96 MGLL (0.54) MGLLBCL9CTNNB1ALDH1A1TDP1
SCHEMBL4249031 0.96 MGLL (0.54) MGLLBCL9CTNNB1ALDH1A1TDP1
SCHEMBL4252406 0.94 BCL9 (0.53) MGLLBCL9CTNNB1ALDH1A1MAPT
SCHEMBL4253619 0.94 BCL9 (0.53) MGLLBCL9CTNNB1ALDH1A1MAPT
SCHEMBL4252403 0.94 BCL9 (0.53) MGLLBCL9CTNNB1ALDH1A1MAPT
SCHEMBL4258060 0.87 CYP3A4 (0.48) ALDH1A1TDP1MAPTKMT2AMEN1
SCHEMBL4250575 0.87 CYP3A4 (0.48) ALDH1A1TDP1MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2105431-A1 Process for Producing Chromone Compound Sumitomo Chemical Company, Limited (JP) 2009-09-30 EP disclosed
EP-2105432-A1 Process for Producing Chromone Compound Sumitomo Chemical Company, Limited (JP) 2009-09-30 EP disclosed
EP-1867626-A2 Process for producing chromone compound Sumitomo Chemical Company, Limited (JP) 2007-12-19 EP 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
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 MGLL 4156/4885BCL9 4330/4885CTNNB1 1544/4885
US-20060217565-A1 Process for producing chromone compound ENY2, CDY1; CDY1B, CDYL MGLL 4156/4885BCL9 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.