SCHEMBL13824902

SCHEMBL13824902

O=C(OC1CCC(OC(=O)C2=C(c3ccccc3)C(c3ccccc3)OC2=O)CC1)C1=C(c2ccccc2)C(c2ccccc2)OC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.39
SCN2A Q99250 2/20 0.39
SCN3A Q9NY46 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
SLC6A3 Q01959 1/20 0.35
FABP7 O15540 1/20 0.35
FABP5 Q01469 1/20 0.35
CHRM3 P20309 1/20 0.34
CHRNA7 P36544 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MMP1 P03956 2/20 0.33
MMP9 P14780 2/20 0.33
MMP12 P39900 2/20 0.33

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
SCHEMBL13726779 0.94 TDP1 (0.46) SCN1ASCN2ASCN3ATDP1KMT2A
SCHEMBL13725991 0.82 FGFR1 (0.46) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL13725810 0.81 CACNA1D (0.44) ALDH1A1SMN1; SMN2KDM4EGAANPC1
SCHEMBL13725930 0.81 TSHR (0.45) SCN1ASCN2ASCN3ATDP1KMT2A
SCHEMBL13725656 0.79 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL13726270 0.78 PDCD1 (0.47) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL13726216 0.78 GRM6 (0.38) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL17117549 0.78 SCN1A (0.40) SCN1ASCN2ASCN3AKMT2AMEN1
SCHEMBL13726366 0.77 TDP1 (0.45) TDP1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL13725914 0.77 LMNA (0.44) TDP1KMT2AMEN1ALDH1A1SMN1; 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-20160362535-A1 5H-FURAN-2-ONE DERIVATIVES STABILIZATION OF ORGANIC MATERIAL BASF SCHWEIZ AG (CH) 2016-12-15 US disclosed
US-20160362535-A1 5H-FURAN-2-ONE DERIVATIVES STABILIZATION OF ORGANIC MATERIAL BASF SCHWEIZ AG (CH) 2016-12-15 US disclosed
US-9458380-B2 5H-furan-2-one derivatives for stabilization of organic material BASF SE (DE) 2016-10-04 US disclosed
US-9458380-B2 5H-furan-2-one derivatives for stabilization of organic material BASF SE (DE) 2016-10-04 US disclosed
EP-2705082-B1 5H-FURAN-2-ONE DERIVATIVES FOR STABILIZATION OF ORGANIC MATERIAL BASF SE (DE) 2015-09-23 EP disclosed
US-20140058021-A1 5H-Furan-2-one Derivatives for Stabilization of Organic Material BASF SE (DE) 2014-02-27 US disclosed
US-20140058021-A1 5H-Furan-2-one Derivatives for Stabilization of Organic Material BASF SE (DE) 2014-02-27 US disclosed
WO-2012150527-A1 5H-FURAN-2-ONE DERIVATIVES FOR STABILIZATION OF ORGANIC MATERIAL BASF SE (DE) 2012-11-08 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 (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-20160362535-A1 5H-FURAN-2-ONE DERIVATIVES STABILIZATION OF ORGANIC MATERIAL C5, C9, CBR1 SCN1A 892/4885SCN2A 617/4885SCN3A 1735/4885

“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.