SCHEMBL1678804

SCHEMBL1678804

COC(=O)Cc1ccc(-c2ccc(OCc3ccc(OC)c(O)c3C(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 7/20 0.61
NR1H3 Q13133 6/20 0.61
RXRA P19793 7/20 0.48
ESR1 P03372 2/20 0.42
THRA P10827 2/20 0.42
THRB P10828 2/20 0.42
VDR P11473 2/20 0.42
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
PPARA Q07869 2/20 0.42
ESR2 Q92731 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
PTGER4 P35408 2/20 0.41
FFAR1 O14842 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL1679003 0.91 NR1H2 (0.73) NR1H2NR1H3RXRAPPARGPPARD
SCHEMBL1678839 0.88 NR1H2 (0.69) NR1H2NR1H3RXRAESR1THRA
SCHEMBL1679277 0.87 NR1H2 (0.60) NR1H2NR1H3RXRAESR1THRA
SCHEMBL1679300 0.86 NR1H2 (0.50) NR1H2NR1H3RXRAESR1THRA
SCHEMBL1679093 0.86 NR1H2 (0.82) NR1H2NR1H3RXRAPPARGPPARD
SCHEMBL1679253 0.80 NR1H2 (0.67) NR1H2NR1H3RXRAPTGER4
SCHEMBL5067204 0.78 NR1H2 (0.68) NR1H2NR1H3RXRAFFAR1MEN1
SCHEMBL1678599 0.77 NR1H2 (0.85) NR1H2NR1H3RXRAPPARGPPARD
SCHEMBL1678496 0.77 NR1H2 (0.74) NR1H2NR1H3RXRAPPARGPPARD
SCHEMBL1679118 0.77 NR1H2 (0.78) NR1H2NR1H3RXRAPPARGPPARD

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.