SCHEMBL4577615

SCHEMBL4577615

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
BACE1 P56817 1/20 0.38
NQO2 P16083 1/20 0.35
NOTUM Q6P988 2/20 0.34
KDM4E B2RXH2 6/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
MAPT P10636 4/20 0.34
CYP2C9 P11712 3/20 0.34
RAB9A P51151 2/20 0.34
HPGD P15428 4/20 0.34
HSD17B10 Q99714 4/20 0.34
ALOX15 P16050 3/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
CA14 Q9ULX7 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL4576235 0.79 KDM4E (0.40) ALDH1A1BACE1NQO2KDM4ESMN1; SMN2
SCHEMBL2254005 0.78 MAPT (0.47) ALDH1A1BACE1NQO2KDM4ESMN1; SMN2
SCHEMBL28994694 0.78 NOTUM (0.48) ALDH1A1BACE1NQO2NOTUMKDM4E
SCHEMBL4577651 0.78 KDM4E (0.49) ALDH1A1BACE1NQO2KDM4ESMN1; SMN2
SCHEMBL1367394 0.78 DPP4 (0.41) ALDH1A1BACE1NQO2NOTUMKDM4E
SCHEMBL4576366 0.78 CYP2C9 (0.41) ALDH1A1KDM4ESMN1; SMN2MAPTCYP2C9
SCHEMBL25366639 0.76 MPO (0.41) ALDH1A1BACE1NQO2NOTUMKDM4E
SCHEMBL30530843 0.76 MPO (0.41) ALDH1A1BACE1NQO2NOTUMKDM4E
SCHEMBL22801136 0.76 KDM4E (0.46) ALDH1A1BACE1NQO2KDM4ESMN1; SMN2
SCHEMBL16346874 0.76 NOTUM (0.45) ALDH1A1BACE1NQO2NOTUMKDM4E

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 ALDH1A1 97/4885BACE1 2001/4885NQO2 718/4885

“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.