SCHEMBL3930261

SCHEMBL3930261

COC(=O)CCc1cc(NC(=O)OC(C)(C)C)cc(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 1/20 0.39
HSD17B1 P14061 2/20 0.38
CYP17A1 P05093 1/20 0.38
GAA P10253 2/20 0.38
CNR1 P21554 1/20 0.38
TOP2A P11388 1/20 0.37
TOP2B Q02880 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
HSD17B2 P37059 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL89282 0.84 KMT2A (0.45) KMT2APOLBL3MBTL1RAB9AALDH1A1
SCHEMBL3933546 0.82 KMT2A (0.52) KMT2APOLBL3MBTL1RAB9AALDH1A1
SCHEMBL4723839 0.82 KMT2A (0.54) KMT2APOLBL3MBTL1RAB9AALDH1A1
SCHEMBL3929633 0.81 SIRT2 (0.52) RAB9AALDH1A1CYP17A1GAACA12
SCHEMBL6755422 0.80 CYP17A1 (0.54) ALDH1A1HTTCYP17A1SMN1; SMN2
SCHEMBL30300988 0.80 KMT2A (0.41) KMT2APOLBL3MBTL1RAB9AALDH1A1
SCHEMBL27387766 0.80 CYP17A1 (0.43) KMT2APOLBL3MBTL1RAB9AALDH1A1
SCHEMBL5884605 0.79 KMT2A (0.51) KMT2APOLBALDH1A1HTTHSD17B1
SCHEMBL28951023 0.79 KMT2A (0.43) KMT2APOLBL3MBTL1RAB9AALDH1A1
SCHEMBL28228415 0.78 ALDH1A1 (0.48) KMT2APOLBL3MBTL1RAB9AALDH1A1

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
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 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-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 KMT2A 4680/4885POLB 3906/4885L3MBTL1 4825/4885

“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.