SCHEMBL1679682

SCHEMBL1679682

CC(C)(C)OC(=O)c1c(COc2ccc(-c3ccc(C(CO)C(=O)O)c(F)c3)cc2)ccc(C(F)(F)F)c1O

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 11/20 0.64
NR1H3 Q13133 9/20 0.64
RXRA P19793 9/20 0.55
PPARD Q03181 2/20 0.37
PPARA Q07869 2/20 0.37
PPARG P37231 1/20 0.37
ADAMTS4 O75173 1/20 0.36
MMP13 P45452 1/20 0.36
FFAR1 O14842 2/20 0.35
PTGER4 P35408 2/20 0.35
AKR1B10 O60218 1/20 0.34
AKR1C4 P17516 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
SRD5A2 P31213 1/20 0.34

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
SCHEMBL1678347 0.91 NR1H2 (0.61) NR1H2NR1H3RXRAPPARDPPARA
SCHEMBL1678676 0.90 NR1H2 (0.66) NR1H2NR1H3RXRAPPARDPPARA
SCHEMBL1678883 0.88 NR1H2 (0.70) NR1H2NR1H3RXRAADAMTS4MMP13
SCHEMBL1678336 0.84 NR1H2 (0.79) NR1H2NR1H3RXRAPPARDPPARA
SCHEMBL1678564 0.83 NR1H2 (0.61) NR1H2NR1H3RXRAAKR1B10AKR1C4
SCHEMBL1678351 0.83 NR1H2 (0.71) NR1H2NR1H3RXRAADAMTS4MMP13
SCHEMBL1679305 0.83 NR1H2 (0.66) NR1H2NR1H3RXRAADAMTS4MMP13
SCHEMBL1679334 0.82 NR1H2 (0.65) NR1H2NR1H3RXRAADAMTS4MMP13
SCHEMBL1679569 0.81 NR1H2 (0.53) NR1H2NR1H3RXRAPPARDPPARA
SCHEMBL1678835 0.81 NR1H2 (0.65) 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.