SCHEMBL1678809

SCHEMBL1678809

COC(=O)C(CO)(CO)c1ccc(-c2ccc(OCc3ccc(C(F)(F)F)c(O)c3C(=O)O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 6/20 0.52
NR1H3 Q13133 6/20 0.52
RXRA P19793 4/20 0.44
SRD5A2 P31213 1/20 0.43
PTGER4 P35408 4/20 0.41
FFAR1 O14842 2/20 0.40
FFAR4 Q5NUL3 1/20 0.40
ADAMTS4 O75173 2/20 0.38
MMP13 P45452 2/20 0.38
PPARD Q03181 4/20 0.38
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL1678813 0.89 NR1H2 (0.66) NR1H2NR1H3RXRASRD5A2PTGER4
SCHEMBL1679601 0.81 NR1H2 (0.66) NR1H2NR1H3RXRASRD5A2PTGER4
SCHEMBL1678674 0.79 NR1H2 (0.52) NR1H2NR1H3RXRASRD5A2PTGER4
SCHEMBL1678802 0.79 NR1H2 (0.53) NR1H2NR1H3RXRASRD5A2PTGER4
SCHEMBL1678830 0.78 NR1H2 (0.64) NR1H2NR1H3RXRASRD5A2PTGER4
SCHEMBL1678478 0.77 NR1H2 (0.58) NR1H2NR1H3RXRASRD5A2PTGER4
SCHEMBL1679361 0.77 NR1H2 (0.53) NR1H2NR1H3RXRASRD5A2PTGER4
SCHEMBL1679359 0.76 NR1H2 (0.60) NR1H2NR1H3RXRASRD5A2PTGER4
SCHEMBL1679284 0.76 NR1H2 (0.62) NR1H2NR1H3RXRASRD5A2PTGER4
SCHEMBL1679275 0.76 NR1H2 (0.69) NR1H2NR1H3RXRAPTGER4FFAR1

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.