SCHEMBL1679452

SCHEMBL1679452

COC(=O)Cc1ccc(-c2ccc(OCc3ccc(C(F)(F)F)c(OC(=O)OC(C)(C)C)c3C(=O)OC(C)(C)C)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 10/20 0.51
NR1H3 Q13133 8/20 0.51
RXRA P19793 8/20 0.42
PTGES O14684 3/20 0.36
AR P10275 4/20 0.34
BCL2 P10415 2/20 0.33
MCL1 Q07820 1/20 0.33

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
SCHEMBL1679025 0.88 NR1H2 (0.52) NR1H2NR1H3RXRA
SCHEMBL1678622 0.87 NR1H2 (0.51) NR1H2NR1H3RXRA
SCHEMBL1679181 0.87 NR1H2 (0.51) NR1H2NR1H3RXRAAR
SCHEMBL1679550 0.85 NR1H2 (0.49) NR1H2NR1H3RXRA
SCHEMBL1679552 0.85 NR1H2 (0.49) NR1H2NR1H3RXRA
SCHEMBL1679270 0.85 NR1H2 (0.44) NR1H2NR1H3RXRAAR
SCHEMBL1678027 0.83 NR1H2 (0.75) NR1H2NR1H3RXRAPTGES
SCHEMBL5067204 0.81 NR1H2 (0.68) NR1H2NR1H3RXRA
SCHEMBL1679162 0.81 NR1H2 (0.50) NR1H2NR1H3RXRA
SCHEMBL1679168 0.81 NR1H2 (0.50) NR1H2NR1H3RXRA

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-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

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.