SCHEMBL663524

SCHEMBL663524

CC(C)(C)OC(=O)c1cc(F)c(O)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 4/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
NFKB1 P19838 1/20 0.42
XDH P47989 1/20 0.42
GFER P55789 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
FUT7 Q11130 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
PTPN11 Q06124 3/20 0.39
GABRA1 P14867 2/20 0.38

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
SCHEMBL662974 0.86 CES2 (0.50) SERPINE1KDM4ELMNAPOLBGAA
SCHEMBL31588324 0.85 SERPINE1 (0.40) SERPINE1KDM4ELMNAPOLBGAA
SCHEMBL39049 0.84 POLB (0.61) SERPINE1KDM4ELMNAPOLBGAA
SCHEMBL5367737 0.84 SERPINE1 (0.44) SERPINE1KDM4ELMNAPOLBGAA
SCHEMBL23413724 0.83 CA12 (0.38) SERPINE1KDM4ELMNAPOLBGAA
SCHEMBL21956939 0.81 LMNA (0.39) SERPINE1KDM4ELMNAPOLBGAA
SCHEMBL10228045 0.81 TUBB1 (0.41) KDM4ELMNAPOLBGAANFKB1
SCHEMBL7058435 0.81 CA12 (0.47) SERPINE1KDM4ELMNAPOLBGAA
SCHEMBL10227775 0.80 SLC7A5 (0.38) SERPINE1POLBL3MBTL1CA12CA1
SCHEMBL602786 0.80 SLC7A5 (0.38) SERPINE1KDM4ELMNAPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423182-A1 DIACYLETHYLENEDIAMINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-29 EP disclosed
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 US 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-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND DGAT1, DGAT2, DIMT1 SERPINE1 1020/4885KDM4E 3060/4885LMNA 2889/4885

“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.