SCHEMBL2282604

SCHEMBL2282604

CNC(C)(CO)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.45
TDP1 Q9NUW8 1/20 0.36
CA14 Q9ULX7 3/20 0.33
CA1 P00915 2/20 0.33
CA7 P43166 2/20 0.33
CA12 O43570 2/20 0.33
CA2 P00918 2/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
APLNR P35414 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL22874331 0.82 DGAT1 (0.38) DGAT1TDP1MEN1KMT2A
SCHEMBL22874322 0.82 DGAT1 (0.38) DGAT1TDP1MEN1KMT2A
SCHEMBL2280101 0.79 DGAT1 (0.42) DGAT1TDP1CA14CA1CA7
SCHEMBL2276383 0.76 DGAT1 (0.39) DGAT1TDP1CA14CA12CA2
SCHEMBL22874323 0.75 TSHR (0.34) TDP1MEN1KMT2A
SCHEMBL22874327 0.75 TSHR (0.34) TDP1MEN1KMT2A
SCHEMBL16976213 0.72 DGAT1 (0.52) DGAT1TDP1CA1CA7CA2
SCHEMBL20980675 0.72
SCHEMBL14947771 0.72
SCHEMBL20369817 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989649-B2 Tumor imaging compounds EMORY UNIVERSITY (US) 2011-08-02 US disclosed
EP-1499584-B1 TUMOR IMAGING COMPOUNDS UNIV EMORY (US) 2010-08-18 EP disclosed
US-20090240041-A1 TUMOR IMAGING COMPOUNDS EMORY UNIVERSITY (US) 2009-09-24 US disclosed
CN-101041674-A Tumor imaging compounds UNIV EMORY (US) 2007-09-26 CN disclosed
EP-1499584-A4 TUMOR IMAGING COMPOUNDS UNIV EMORY (US) 2007-08-15 EP disclosed
CN-1313436-C Tumor imaging compounds UNIV EMORY (US) 2007-05-02 CN disclosed
CN-1649828-A Tumor imaging compounds UNIV EMORY (US) 2005-08-03 CN disclosed
EP-1499584-A2 TUMOR IMAGING COMPOUNDS Emory University (US) 2005-01-26 EP disclosed
WO-2003093412-A2 TUMOR IMAGING COMPOUNDS EMORY UNIVERSITY (US) 2003-11-13 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-20090240041-A1 TUMOR IMAGING COMPOUNDS AADAT, MKI67, SSTR1 DGAT1 4582/4885TDP1 4506/4885CA14 135/4885

“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.