SCHEMBL1678552

SCHEMBL1678552

CC(C)(C)OC(=O)c1cc(C(F)(F)F)ccc1COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 11/20 0.62
RXRA P19793 9/20 0.62
NR1H3 Q13133 9/20 0.62
AAK1 Q2M2I8 2/20 0.46
HIF1A Q16665 3/20 0.43
FFAR1 O14842 1/20 0.39
SRD5A2 P31213 1/20 0.38

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
SCHEMBL1679021 0.83 AAK1 (0.45) NR1H2RXRANR1H3AAK1HIF1A
SCHEMBL1679367 0.81 NR1H2 (0.72) NR1H2RXRANR1H3FFAR1SRD5A2
SCHEMBL1678959 0.80 NR1H2 (0.62) NR1H2RXRANR1H3AAK1HIF1A
SCHEMBL1678558 0.76 RXRA (1.00) NR1H2RXRANR1H3FFAR1
SCHEMBL1679004 0.74 NR1H2 (0.82) NR1H2RXRANR1H3
SCHEMBL17129337 0.74 MAOB (0.55) FFAR1
SCHEMBL1679384 0.74 NR1H2 (0.73) NR1H2RXRANR1H3FFAR1
SCHEMBL1679132 0.72 NR1H2 (1.00) NR1H2RXRANR1H3FFAR1
SCHEMBL17129613 0.72 MAOB (0.59) FFAR1
SCHEMBL13606514 0.71 AAK1 (0.57) AAK1HIF1A

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 3 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-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

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-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 NR1H2 1/4885RXRA 5/4885NR1H3 2/4885

“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.