SCHEMBL1678617

SCHEMBL1678617

CC(C)(C)OC(=O)c1c(COc2ccc(-c3ccc(CC(=O)O)c(Cl)c3)nc2)ccc(C(F)(F)F)c1O

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 12/20 0.65
NR1H3 Q13133 10/20 0.65
RXRA P19793 9/20 0.52
FFAR4 Q5NUL3 2/20 0.37
CYP4A11 Q02928 1/20 0.35
KMO O15229 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
NR1H4 Q96RI1 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
SCHEMBL1679037 0.90 NR1H2 (0.78) NR1H2NR1H3RXRAFFAR4PTGER4
SCHEMBL1679516 0.88 NR1H2 (0.81) NR1H2NR1H3RXRACYP4A11SMN1; SMN2
SCHEMBL1678988 0.81 NR1H2 (0.82) NR1H2NR1H3RXRAPTGER4
SCHEMBL1679010 0.81 NR1H2 (0.67) NR1H2NR1H3RXRAFFAR4CYP4A11
SCHEMBL1679564 0.81 NR1H2 (0.64) NR1H2NR1H3RXRAPTGDR2
SCHEMBL1679169 0.81 NR1H2 (0.66) NR1H2NR1H3RXRASMN1; SMN2PTGER4
SCHEMBL1678322 0.80 NR1H2 (0.79) NR1H2NR1H3RXRAPTGER4
SCHEMBL1678336 0.80 NR1H2 (0.79) NR1H2NR1H3RXRAPTGER4NR1H4
SCHEMBL1678965 0.80 NR1H2 (0.79) NR1H2NR1H3RXRAPTGER4
SCHEMBL1678530 0.80 NR1H2 (0.78) NR1H2NR1H3RXRAFFAR4PTGDR2

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.