SCHEMBL1679004

SCHEMBL1679004

COC(=O)Cc1ccc(-c2ccc(OCc3ccc(C(F)(F)F)cc3C(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 10/20 0.82
RXRA P19793 8/20 0.82
NR1H3 Q13133 8/20 0.82
LMNA P02545 1/20 0.44
PPARD Q03181 4/20 0.43
PPARA Q07869 3/20 0.43
PPARG P37231 2/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
MAOB P27338 1/20 0.40
PTGER4 P35408 1/20 0.40

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
SCHEMBL1678558 0.90 RXRA (1.00) NR1H2RXRANR1H3PPARDPPARA
SCHEMBL1678704 0.87 NR1H2 (0.63) NR1H2RXRANR1H3LMNAPPARD
SCHEMBL1679132 0.82 NR1H2 (1.00) NR1H2RXRANR1H3PPARDPPARA
SCHEMBL1679367 0.81 NR1H2 (0.72) NR1H2RXRANR1H3PPARDPPARA
SCHEMBL1679093 0.80 NR1H2 (0.82) NR1H2RXRANR1H3LMNAPPARD
SCHEMBL3500378 0.80 NR1H2 (0.52) NR1H2RXRANR1H3PPARDPPARA
SCHEMBL10564870 0.79 RXRA (0.61) NR1H2RXRANR1H3PPARDPPARA
SCHEMBL1679384 0.77 NR1H2 (0.73) NR1H2RXRANR1H3PPARDPPARA
SCHEMBL1678804 0.76 NR1H2 (0.61) NR1H2RXRANR1H3PPARDPPARA
SCHEMBL1678839 0.76 NR1H2 (0.69) NR1H2RXRANR1H3LMNAPPARD

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 1/4885RXRA 5/4885NR1H3 2/4885

“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.