SCHEMBL1679145

SCHEMBL1679145

CC(C)(C)OC(=O)c1c(COc2ccc(-c3ncc(CC(=O)O)cn3)cc2)ccc(C(F)(F)F)c1O

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 15/20 0.81
NR1H3 Q13133 13/20 0.81
RXRA P19793 9/20 0.59
PPARD Q03181 3/20 0.40
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
NR1H4 Q96RI1 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
SRD5A2 P31213 1/20 0.36

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
SCHEMBL1678331 0.89 NR1H2 (1.00) NR1H2NR1H3RXRAPPARDPPARG
SCHEMBL1679529 0.87 NR1H2 (0.74) NR1H2NR1H3RXRAPPARDPPARG
SCHEMBL1678799 0.86 NR1H2 (0.80) NR1H2NR1H3RXRAPPARDPPARG
SCHEMBL1679286 0.86 NR1H2 (0.61) NR1H2NR1H3RXRAPPARDPPARG
SCHEMBL1678844 0.85 NR1H2 (0.75) NR1H2NR1H3RXRAPPARDPPARG
SCHEMBL1679516 0.85 NR1H2 (0.81) NR1H2NR1H3RXRAPPARDPPARG
SCHEMBL1678576 0.84 NR1H2 (0.82) NR1H2NR1H3RXRAPPARDPPARG
SCHEMBL1678454 0.84 NR1H2 (0.82) NR1H2NR1H3RXRAPPARDPPARG
SCHEMBL1679527 0.84 NR1H2 (1.00) NR1H2NR1H3RXRAPPARDPPARG
SCHEMBL1678988 0.84 NR1H2 (0.82) NR1H2NR1H3RXRASRD5A2

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 1/4885NR1H3 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.