SCHEMBL1678468

SCHEMBL1678468

COC(=O)Cc1ccc(-c2ccc(OCc3ccc(C(F)(F)F)c(O)c3C(=O)OC(C)(C)C)cc2F)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 11/20 0.66
NR1H3 Q13133 9/20 0.66
RXRA P19793 8/20 0.53
LMNA P02545 1/20 0.37
PTPN1 P18031 1/20 0.37
FFAR1 O14842 4/20 0.35
FFAR4 Q5NUL3 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 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
SCHEMBL20952169 0.92 NR1H2 (0.67) NR1H2NR1H3RXRALMNAFFAR1
SCHEMBL1679383 0.91 NR1H2 (0.80) NR1H2NR1H3RXRAFFAR1FFAR4
SCHEMBL5067204 0.90 NR1H2 (0.68) NR1H2NR1H3RXRALMNAFFAR1
SCHEMBL1679093 0.89 NR1H2 (0.82) NR1H2NR1H3RXRALMNAMEN1
SCHEMBL1678156 0.89 NR1H2 (0.67) NR1H2NR1H3RXRALMNAFFAR1
SCHEMBL1679422 0.86 NR1H2 (0.80) NR1H2NR1H3RXRAFFAR1FFAR4
SCHEMBL1678788 0.86 NR1H2 (0.63) NR1H2NR1H3RXRALMNAFFAR1
SCHEMBL1678819 0.85 NR1H2 (0.62) NR1H2NR1H3RXRALMNAPTPN1
SCHEMBL1679255 0.83 NR1H2 (0.80) NR1H2NR1H3RXRAFFAR1FFAR4
SCHEMBL1678561 0.82 NR1H2 (0.78) NR1H2NR1H3RXRAFFAR1FFAR4

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.