SCHEMBL5204925

SCHEMBL5204925

CC[Si](CC)(CC)O[C@@]1(C)C(=O)N[C@@H]1c1ccco1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 18/20 0.42
POLB P06746 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 2/20 0.42
APEX1 P27695 1/20 0.42
ESR2 Q92731 1/20 0.42
ADORA2A P29274 1/20 0.37
MEN1 O00255 1/20 0.36
PABPC1 P11940 1/20 0.36
KMT2A Q03164 1/20 0.36
EIF4H Q15056 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL5204918 1.00 ADORA2B (0.42) ADORA2BPOLBTDP1L3MBTL1KDM4E
SCHEMBL6619538 1.00 ADORA2B (0.42) ADORA2BPOLBTDP1L3MBTL1KDM4E
SCHEMBL6619534 1.00 ADORA2B (0.42) ADORA2BPOLBTDP1L3MBTL1KDM4E
SCHEMBL5210263 0.71 KDM4E (0.43) ADORA2BPOLBTDP1L3MBTL1KDM4E
SCHEMBL5212952 0.68 ADORA2B (0.37) ADORA2BPOLBTDP1L3MBTL1KDM4E
SCHEMBL7462787 0.68 ALDH1A1 (0.42) ADORA2BPOLBTDP1L3MBTL1KDM4E
SCHEMBL7457049 0.68 ALDH1A1 (0.42) ADORA2BPOLBTDP1L3MBTL1KDM4E
SCHEMBL7462796 0.68 ALDH1A1 (0.42) ADORA2BPOLBTDP1L3MBTL1KDM4E
SCHEMBL4176942 0.67
SCHEMBL5212628 0.65 ADORA2B (0.34) ADORA2BPOLBTDP1L3MBTL1KDM4E

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-1423108-B1 C-2' METHYLATED DERIVATIVES OF PACLITAXEL FOR USE AS ANTITUMOUR AGENTS INDENA SPA (IT) 2007-06-06 EP disclosed
US-7153884-B2 C-2′ methylated derivatives of paclitaxel for use as antitumour agents INDENA S.P.A. (IT) 2006-12-26 US disclosed
US-20040242674-A1 C-2' methylated derivatives of paclitaxel for use as antitumour agents INDENA S.P.A. (IT) 2004-12-02 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-20040242674-A1 C-2' methylated derivatives of paclitaxel for use as antitumour agents TOP2B, TOP2A, CCAR2 ADORA2B 3277/4885POLB 375/4885TDP1 593/4885

“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.