SCHEMBL4935619

SCHEMBL4935619

C=CCOc1c(C(F)(F)F)ccc(COc2ccc(-c3ccc(CC(=O)O)cc3)cc2F)c1C=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.46
RXRB P28702 9/20 0.46
RXRG P48443 9/20 0.46
NR1H2 P55055 3/20 0.41
NR1H3 Q13133 3/20 0.41
PPARD Q03181 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
ERN1 O75460 1/20 0.37
S1PR1 P21453 1/20 0.35
KIF11 P52732 2/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL4935667 0.87 NR1H2 (0.53) RXRARXRBRXRGNR1H2NR1H3
SCHEMBL4936165 0.86 NR1H2 (0.42) RXRARXRBRXRGNR1H2NR1H3
SCHEMBL4943169 0.86 NR1H2 (0.51) RXRARXRBRXRGNR1H2NR1H3
SCHEMBL1679399 0.85 NR1H2 (0.37) NR1H2NR1H3ERN1S1PR1KIF11
SCHEMBL1678373 0.82 RXRA (0.39) RXRARXRBRXRGNR1H2NR1H3
SCHEMBL1678895 0.77 NR1H2 (0.47) RXRARXRBRXRGNR1H2NR1H3
SCHEMBL1679381 0.77 NR1H2 (0.34) RXRANR1H2NR1H3PPARDKIF11
SCHEMBL4940004 0.74 RXRA (0.48) RXRARXRBRXRGNR1H2NR1H3
SCHEMBL1679125 0.73 NR1H2 (0.38) RXRARXRBRXRGNR1H2NR1H3
SCHEMBL1679135 0.73 NR1H2 (0.76) RXRARXRBRXRGNR1H2NR1H3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 5/4885RXRB 4/4885RXRG 9/4885

“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.