SCHEMBL1679104

SCHEMBL1679104

C=CCOC(=O)Cc1ccc(-c2ccc(OCc3ccc(C(F)(F)F)c(OCC=C)c3C(=O)OC(C)(C)C)cc2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 11/20 0.49
NR1H3 Q13133 9/20 0.49
RXRA P19793 9/20 0.42
PTGER4 P35408 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
SCN9A Q15858 1/20 0.31
ALOX5 P09917 1/20 0.31
ALOX5AP P20292 1/20 0.31

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
SCHEMBL1678568 0.91 NR1H2 (0.50) NR1H2NR1H3RXRAPTGER4
SCHEMBL1678841 0.87 NR1H2 (0.46) NR1H2NR1H3RXRAPTGER4
SCHEMBL1679521 0.86 NR1H2 (0.49) NR1H2NR1H3RXRAFFAR4MGAM
SCHEMBL1679540 0.85 NR1H2 (0.51) NR1H2NR1H3RXRAFFAR4MGAM
SCHEMBL1678612 0.84 NR1H2 (0.49) NR1H2NR1H3RXRAPTGER4FFAR4
SCHEMBL1678687 0.84 NR1H2 (0.49) NR1H2NR1H3RXRAFFAR4
SCHEMBL1679296 0.82 NR1H2 (0.52) NR1H2NR1H3RXRAPTGER4FFAR4
SCHEMBL1678895 0.82 NR1H2 (0.47) NR1H2NR1H3RXRAFFAR4
SCHEMBL1679402 0.81 NR1H2 (0.51) NR1H2NR1H3RXRAPTGER4FFAR4
SCHEMBL1679696 0.80 NR1H2 (0.40) NR1H2NR1H3RXRAPTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 US disclosed
US-20080255111-A1 Tissue Factor Production Inhibitor SANKYO COMPANY LIMITED (JP) 2008-10-16 US disclosed
US-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 US disclosed
EP-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 EP disclosed
EP-1764075-A1 TISSUE FACTOR PRODUCTION INHIBITOR Sankyo Company, Limited (JP) 2007-03-21 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-20080255111-A1 Tissue Factor Production Inhibitor PTAFR, PLAT, TFPI NR1H2 7/4885NR1H3 6/4885RXRA 84/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 NR1H2 1/4885NR1H3 2/4885RXRA 5/4885

“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.