SCHEMBL1679696

SCHEMBL1679696

C=CCOC(=O)Cc1ccc(-c2ccc(OCc3ccc(C(F)(F)F)c(OCC=C)c3C(=O)O)cc2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.40
NR1H3 Q13133 5/20 0.40
PTGER4 P35408 2/20 0.37
SRD5A2 P31213 1/20 0.37
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
PPARG P37231 1/20 0.36
RXRA P19793 3/20 0.35
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
HTR2A P28223 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
FFAR1 O14842 2/20 0.33
KIF11 P52732 1/20 0.32
KAT6A Q92794 1/20 0.32
GSK3B P49841 2/20 0.32
BACE1 P56817 2/20 0.32
MAOB P27338 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
SCHEMBL1678568 0.89 NR1H2 (0.50) NR1H2NR1H3PTGER4PPARDPPARA
SCHEMBL1679534 0.89 NR1H2 (0.48) NR1H2NR1H3PTGER4SRD5A2PPARD
SCHEMBL1678373 0.86 RXRA (0.39) NR1H2NR1H3PPARDRXRANR1H4
SCHEMBL4936165 0.81 NR1H2 (0.42) NR1H2NR1H3PTGER4SRD5A2PPARD
SCHEMBL1679104 0.80 NR1H2 (0.49) NR1H2NR1H3PTGER4RXRA
SCHEMBL1678763 0.79 NR1H2 (0.38) NR1H2NR1H3PTGER4SRD5A2RXRA
SCHEMBL1679322 0.78 NR1H2 (0.47) NR1H2NR1H3PTGER4PPARDPPARA
SCHEMBL1678687 0.77 NR1H2 (0.49) NR1H2NR1H3RXRAHTR2AFFAR1
SCHEMBL1678895 0.76 NR1H2 (0.47) NR1H2NR1H3RXRAFFAR1KIF11
SCHEMBL1679540 0.74 NR1H2 (0.51) NR1H2NR1H3SRD5A2RXRAFFAR1

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 2/4885PTGER4 1841/4885

“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.