SCHEMBL261000

SCHEMBL261000

CC(C)(C)OC(=O)N(CCOCCOS(C)(=O)=O)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MMP9 P14780 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
CA14 Q9ULX7 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL30244602 1.00 KDM4E (0.34) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL31583880 0.88 CA14 (0.38) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL19585770 0.86 PDK2 (0.34) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL21070068 0.86 PDK2 (0.34) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL16379403 0.86 PDK2 (0.34) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL21997565 0.81 KDM4E (0.35) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL20365461 0.80 NR1I2 (0.36) CA14CA12CA1CA7L3MBTL1
SCHEMBL30244620 0.80 MEN1 (0.39) ALDH1A1TSHRCA14L3MBTL1BLM
SCHEMBL30244435 0.80 MEN1 (0.39) ALDH1A1TSHRCA14L3MBTL1BLM
SCHEMBL30179199 0.80 DGAT1 (0.34) CA14L3MBTL1BLMPMP22HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2255201-B1 FLUORESCENCE POLARIZATION HERG ASSAY LIFE TECHNOLOGIES CORP (US) 2014-08-06 EP disclosed
US-20120231541-A1 FLUORESCENCE POLARIZATION hERG ASSAY Life Technologies Corporation (US) 2012-09-13 US disclosed
US-8133695-B2 Fluorescence polarization hERG assay Life Technologies Corporation (US) 2012-03-13 US disclosed
US-8133695-B2 Fluorescence polarization hERG assay Life Technologies Corporation (US) 2012-03-13 US disclosed
EP-2255201-A2 FLUORESCENCE POLARIZATION HERG ASSAY Life Technologies Corporation (US) 2010-12-01 EP disclosed
US-20090253148-A1 FLUORESCENCE POLARIZATION hERG ASSAY Life Technologies Corporation (US) 2009-10-08 US disclosed
US-20090253148-A1 FLUORESCENCE POLARIZATION hERG ASSAY Life Technologies Corporation (US) 2009-10-08 US disclosed
WO-2009108905-A2 FLUORESCENCE POLARIZATION HERG ASSAY Life Technologies Corporation (US) 2009-09-03 WO 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-20090253148-A1 FLUORESCENCE POLARIZATION hERG ASSAY TNNI3, TNNT2, KCNQ1 KDM4E 3619/4885USP2 4410/4885ALDH1A1 3101/4885

“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.