SCHEMBL1727138

SCHEMBL1727138

O=C(O)COc1cccc(O)c1C(=O)C=CC1C=CC(OCCCO)=CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 8/20 0.37
NFKB2 Q00653 8/20 0.37
RELA Q04206 8/20 0.37
AURKA O14965 1/20 0.32
PRKCB P05771 1/20 0.31
PRKCA P17252 1/20 0.31
PRKCE Q02156 1/20 0.31
PTPN1 P18031 2/20 0.31
PTGDR2 Q9Y5Y4 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYSLTR1 Q9Y271 1/20 0.30
PTGIR P43119 1/20 0.30

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
SCHEMBL1727016 0.95 NFKB1 (0.38) NFKB1NFKB2RELAAURKAPRKCB
SCHEMBL1728278 0.84 NFKB1 (0.39) NFKB1NFKB2RELAAURKAPRKCB
SCHEMBL1727021 0.81 NFKB1 (0.37) NFKB1NFKB2RELAAURKAPRKCB
SCHEMBL29267639 0.76 AURKA (0.50) NFKB1NFKB2RELAAURKA
SCHEMBL1726682 0.75 NFKB1 (0.38) NFKB1NFKB2RELAAURKAPRKCB
SCHEMBL1727449 0.74 NFKB1 (0.38) NFKB1NFKB2RELAAURKAKDM4E
SCHEMBL8115829 0.73 AURKA (0.40) NFKB1NFKB2RELAAURKA
SCHEMBL14607263 0.72 LSS (0.31)
SCHEMBL1728345 0.72 NFKB1 (0.37) NFKB1NFKB2RELAAURKA
SCHEMBL2019604 0.69 CA12 (0.33) NFKB1NFKB2RELAAURKA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1609798-B1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2012-05-09 EP disclosed
EP-1609798-A9 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-01-11 EP disclosed
US-7566699-B2 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-07-28 US disclosed
US-20060247179-A1 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 US disclosed
EP-1609798-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-12-28 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-20060247179-A1 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof SLC5A1, SLC5A2, GPR119 NFKB1 3707/4885NFKB2 3464/4885RELA 1664/4885

“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.