SCHEMBL1679253

SCHEMBL1679253

COC(=O)Cc1ccc(-c2ccc(OCc3ccc(C(F)(F)F)c(O)c3C(=O)OC(C)(C)C)cc2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 11/20 0.67
NR1H3 Q13133 9/20 0.67
RXRA P19793 9/20 0.58
PTGER4 P35408 3/20 0.38
MRGPRX4 Q96LA9 1/20 0.36
FOXM1 Q08050 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
EPHX2 P34913 1/20 0.34
ADAMTS4 O75173 1/20 0.34
MMP13 P45452 1/20 0.34
LMNA P02545 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
SCHEMBL1679008 0.92 NR1H2 (0.76) NR1H2NR1H3RXRAPTGER4MRGPRX4
SCHEMBL1678962 0.90 NR1H2 (0.68) NR1H2NR1H3RXRAPTGER4MAOA
SCHEMBL1679093 0.88 NR1H2 (0.82) NR1H2NR1H3RXRAPTGER4MAOA
SCHEMBL5067204 0.83 NR1H2 (0.68) NR1H2NR1H3RXRALMNA
SCHEMBL1678156 0.82 NR1H2 (0.67) NR1H2NR1H3RXRAMAOAMAOB
SCHEMBL1678866 0.82 NR1H2 (0.62) NR1H2NR1H3RXRAMAOAMAOB
SCHEMBL1678988 0.82 NR1H2 (0.82) NR1H2NR1H3RXRAPTGER4
SCHEMBL1678322 0.81 NR1H2 (0.79) NR1H2NR1H3RXRAPTGER4
SCHEMBL1678965 0.81 NR1H2 (0.79) NR1H2NR1H3RXRAPTGER4
SCHEMBL1678336 0.81 NR1H2 (0.79) NR1H2NR1H3RXRAPTGER4

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.