SCHEMBL4576235

SCHEMBL4576235

COC(=O)c1ccc(CO[Si](C)(C)C(C)(C)C)c(NC=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.40
BACE1 P56817 1/20 0.39
ALDH1A1 P00352 8/20 0.38
HPGD P15428 4/20 0.38
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HSD17B10 Q99714 3/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
ALOX15 P16050 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
NQO2 P16083 1/20 0.37
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35

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
SCHEMBL2254005 0.80 MAPT (0.47) KDM4EBACE1ALDH1A1MAPTSMN1; SMN2
SCHEMBL28994694 0.80 NOTUM (0.48) KDM4EBACE1ALDH1A1HPGDMAPT
SCHEMBL4577651 0.80 KDM4E (0.49) KDM4EBACE1ALDH1A1HPGDMAPT
SCHEMBL1367394 0.80 DPP4 (0.41) KDM4EBACE1ALDH1A1HPGDMAPT
SCHEMBL4577615 0.79 ALDH1A1 (0.38) KDM4EBACE1ALDH1A1HPGDMAPT
SCHEMBL25366639 0.78 MPO (0.41) KDM4EBACE1ALDH1A1HPGDMAPT
SCHEMBL30530843 0.78 MPO (0.41) KDM4EBACE1ALDH1A1HPGDMAPT
SCHEMBL16346874 0.78 NOTUM (0.45) KDM4EBACE1ALDH1A1HPGDMAPT
SCHEMBL22801136 0.78 KDM4E (0.46) KDM4EBACE1ALDH1A1HPGDMAPT
SCHEMBL31075303 0.77 NQO2 (0.37) KDM4EBACE1ALDH1A1HPGDMAPT

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
US-20080269240-A1 Novel Adenine Compound Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2008-10-30 US disclosed
US-20080269240-A1 Novel Adenine Compound Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2008-10-30 US disclosed
EP-1939199-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 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-20080269240-A1 Novel Adenine Compound ADORA1, ADORA2A, ADORA3 KDM4E 3369/4885BACE1 2001/4885ALDH1A1 97/4885

“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.