SCHEMBL1678558

SCHEMBL1678558

CC(C)(C)OC(=O)c1cc(C(F)(F)F)ccc1COc1ccc(-c2ccc(CC(=O)O)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 13/20 1.00
NR1H2 P55055 10/20 1.00
NR1H3 Q13133 8/20 1.00
PPARD Q03181 4/20 0.50
PPARA Q07869 3/20 0.50
PPARG P37231 2/20 0.50
RXRB P28702 5/20 0.49
RXRG P48443 5/20 0.49
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45

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
SCHEMBL1679132 0.91 NR1H2 (1.00) RXRANR1H2NR1H3PPARDPPARA
SCHEMBL1679004 0.90 NR1H2 (0.82) RXRANR1H2NR1H3PPARDPPARA
SCHEMBL1679384 0.85 NR1H2 (0.73) RXRANR1H2NR1H3PPARDPPARA
SCHEMBL10566720 0.84 RXRA (0.71) RXRANR1H2NR1H3PPARDPPARA
SCHEMBL1679367 0.83 NR1H2 (0.72) RXRANR1H2NR1H3PPARDPPARA
SCHEMBL1678331 0.80 NR1H2 (1.00) RXRANR1H2NR1H3PPARDPPARA
SCHEMBL3499100 0.79 NR1H2 (0.65) RXRANR1H2NR1H3FFAR1FFAR4
SCHEMBL1678704 0.78 NR1H2 (0.63) RXRANR1H2NR1H3PPARDPPARA
SCHEMBL6242006 0.78 RXRA (0.63) RXRANR1H2NR1H3PPARDPPARA
SCHEMBL1679118 0.77 NR1H2 (0.78) RXRANR1H2NR1H3PPARDPPARA

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 RXRA 5/4885NR1H2 1/4885NR1H3 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.