SCHEMBL1679387

SCHEMBL1679387

C=CCOC(=O)C1(c2ccc(-c3ccc(OCc4ccc(C(F)(F)F)c(OCC=C)c4C(=O)OC(C)(C)C)cc3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 11/20 0.48
NR1H3 Q13133 9/20 0.48
RXRA P19793 9/20 0.43
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PTGER4 P35408 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30

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
SCHEMBL1678368 0.89 NR1H2 (0.45) NR1H2NR1H3RXRA
SCHEMBL1678763 0.89 NR1H2 (0.38) NR1H2NR1H3RXRAMAOAMAOB
SCHEMBL1679296 0.83 NR1H2 (0.52) NR1H2NR1H3RXRAMAOAMAOB
SCHEMBL1679402 0.81 NR1H2 (0.51) NR1H2NR1H3RXRAMAOAMAOB
SCHEMBL1678568 0.81 NR1H2 (0.50) NR1H2NR1H3RXRAMAOAMAOB
SCHEMBL1679104 0.80 NR1H2 (0.49) NR1H2NR1H3RXRAFFAR4PTGER4
SCHEMBL5058076 0.79 NR1H2 (0.59) NR1H2NR1H3RXRAMAOAMAOB
SCHEMBL1678841 0.78 NR1H2 (0.46) NR1H2NR1H3RXRAPTGER4ADRB2
SCHEMBL1679540 0.78 NR1H2 (0.51) NR1H2NR1H3RXRAFFAR4
SCHEMBL1678966 0.77 NR1H2 (0.70) NR1H2NR1H3RXRAMAOAMAOB

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.