SCHEMBL4250593

SCHEMBL4250593

CCCCCCOC(=O)/C=C(/Oc1cccc([N+](=O)[O-])c1)C(=O)OCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 6/20 0.47
CACNA1D Q01668 6/20 0.47
CACNA1S Q13698 6/20 0.47
CACNA1C Q13936 6/20 0.47
LMNA P02545 3/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
XBP1 P17861 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
F2 P00734 1/20 0.41
ESR1 P03372 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
CHRNB2 P17787 1/20 0.40

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
SCHEMBL4250600 1.00 CACNA1F (0.47) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL4251687 1.00 CACNA1F (0.47) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL4258060 0.96 CYP3A4 (0.48) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL4250575 0.96 CYP3A4 (0.48) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL4250580 0.96 CYP3A4 (0.48) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL4256038 0.91 CYP3A4 (0.47) LMNAMEN1MAPTKMT2AMAPK1
SCHEMBL4250377 0.91 CYP3A4 (0.47) LMNAMEN1MAPTKMT2AMAPK1
SCHEMBL4250385 0.91 CYP3A4 (0.47) LMNAMEN1MAPTKMT2AMAPK1
SCHEMBL4249035 0.87 MGLL (0.54) LMNAMEN1MAPTKMT2ATDP1
SCHEMBL4251619 0.87 MGLL (0.54) LMNAMEN1MAPTKMT2ATDP1

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 CACNA1F 4517/4885CACNA1D 4445/4885CACNA1S 4636/4885
US-20060217565-A1 Process for producing chromone compound ENY2, CDY1; CDY1B, CDYL CACNA1F 4517/4885CACNA1D 4445/4885CACNA1S 4636/4885

“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.