SCHEMBL1679260

SCHEMBL1679260

COCC(C(=O)O)c1ccc(-c2ccc(OCc3ccc(C(F)(F)F)c(O)c3C(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 12/20 0.68
NR1H3 Q13133 10/20 0.68
RXRA P19793 9/20 0.58
AKR1C3 P42330 3/20 0.38
AKR1C2 P52895 3/20 0.38
ADAMTS4 O75173 1/20 0.38
MMP13 P45452 1/20 0.38
AKR1B10 O60218 1/20 0.37
AKR1C4 P17516 1/20 0.37
AKR1C1 Q04828 1/20 0.37
FFAR1 O14842 2/20 0.35
PTGER4 P35408 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 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
SCHEMBL1678351 0.92 NR1H2 (0.71) NR1H2NR1H3RXRAAKR1C3AKR1C2
SCHEMBL1678883 0.91 NR1H2 (0.70) NR1H2NR1H3RXRAAKR1C3AKR1C2
SCHEMBL1678699 0.87 NR1H2 (0.72) NR1H2NR1H3RXRAAKR1C3AKR1C2
SCHEMBL1678343 0.87 NR1H2 (0.72) NR1H2NR1H3RXRAAKR1C3AKR1C2
SCHEMBL1678835 0.85 NR1H2 (0.65) NR1H2NR1H3RXRAAKR1C3AKR1C2
SCHEMBL1679241 0.84 NR1H2 (0.68) NR1H2NR1H3RXRAADAMTS4MMP13
SCHEMBL1679291 0.83 NR1H2 (0.78) NR1H2NR1H3RXRAPTGER4MAOA
SCHEMBL1678564 0.82 NR1H2 (0.61) NR1H2NR1H3RXRAAKR1C3AKR1C2
SCHEMBL1678331 0.81 NR1H2 (1.00) NR1H2NR1H3RXRAFFAR1
SCHEMBL1679682 0.81 NR1H2 (0.64) NR1H2NR1H3RXRAAKR1C3AKR1C2

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.