SCHEMBL1679527

SCHEMBL1679527

CC(C)(C)OC(=O)c1c(COc2ccc(-c3cccc(CC(=O)O)c3)cc2)ccc(C(F)(F)F)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 10/20 1.00
NR1H3 Q13133 8/20 1.00
RXRA P19793 8/20 0.70
FFAR1 O14842 6/20 0.44
NR1H4 Q96RI1 1/20 0.43
PPARD Q03181 2/20 0.42
PPARA Q07869 2/20 0.42
PTGER4 P35408 1/20 0.42
PPARG P37231 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42

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
SCHEMBL1678862 0.91 NR1H2 (0.84) NR1H2NR1H3RXRAFFAR1PTGER4
SCHEMBL1678331 0.91 NR1H2 (1.00) NR1H2NR1H3RXRAFFAR1NR1H4
SCHEMBL1678988 0.89 NR1H2 (0.82) NR1H2NR1H3RXRAPTGER4RXRB
SCHEMBL1678590 0.88 NR1H2 (0.81) NR1H2NR1H3RXRAPPARDPPARA
SCHEMBL1678799 0.88 NR1H2 (0.80) NR1H2NR1H3RXRANR1H4PPARD
SCHEMBL1678454 0.87 NR1H2 (0.82) NR1H2NR1H3RXRAFFAR1NR1H4
SCHEMBL1678576 0.87 NR1H2 (0.82) NR1H2NR1H3RXRAFFAR1NR1H4
SCHEMBL1678336 0.87 NR1H2 (0.79) NR1H2NR1H3RXRAFFAR1NR1H4
SCHEMBL1678965 0.87 NR1H2 (0.79) NR1H2NR1H3RXRAPPARDPPARA
SCHEMBL1678322 0.87 NR1H2 (0.79) NR1H2NR1H3RXRAFFAR1PPARD

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.