SCHEMBL1679322

SCHEMBL1679322

C=CCOC(=O)Cc1ccc(-c2ccc(OCc3ccc(C(F)(F)F)c(OCC=C)c3C(=O)OC(C)C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.47
NR1H3 Q13133 5/20 0.47
RXRA P19793 4/20 0.39
NR1H4 Q96RI1 1/20 0.36
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
ADAMTS4 O75173 2/20 0.35
MMP13 P45452 2/20 0.35
PTGER4 P35408 2/20 0.33
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
MAPT P10636 2/20 0.33
FFAR1 O14842 2/20 0.33
FFAR4 Q5NUL3 2/20 0.33
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL1679534 0.88 NR1H2 (0.48) NR1H2NR1H3RXRANR1H4RXRB
SCHEMBL1679540 0.82 NR1H2 (0.51) NR1H2NR1H3RXRAFFAR1FFAR4
SCHEMBL1678687 0.81 NR1H2 (0.49) NR1H2NR1H3RXRAFFAR1FFAR4
SCHEMBL1678612 0.81 NR1H2 (0.49) NR1H2NR1H3RXRAPTGER4PPARG
SCHEMBL1679521 0.80 NR1H2 (0.49) NR1H2NR1H3RXRANR1H4FFAR1
SCHEMBL1678568 0.80 NR1H2 (0.50) NR1H2NR1H3RXRAPTGER4PPARG
SCHEMBL1679104 0.79 NR1H2 (0.49) NR1H2NR1H3RXRAPTGER4FFAR4
SCHEMBL1678895 0.79 NR1H2 (0.47) NR1H2NR1H3RXRARXRBRXRG
SCHEMBL1679696 0.78 NR1H2 (0.40) NR1H2NR1H3RXRANR1H4PTGER4
SCHEMBL1679296 0.77 NR1H2 (0.52) NR1H2NR1H3RXRAADAMTS4MMP13

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.