SCHEMBL7089253

SCHEMBL7089253

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.35
NR1I2 O75469 1/20 0.35
ADORA2B P29275 7/20 0.34
SCN9A Q15858 1/20 0.33
SCN3A Q9NY46 1/20 0.33
KLK7 P49862 1/20 0.32
KLK5 Q9Y337 1/20 0.32
BCL2 P10415 2/20 0.32
BECN1 Q14457 2/20 0.32
KMT2A Q03164 2/20 0.32
GPR119 Q8TDV5 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
PABPC1 P11940 1/20 0.32
EIF4H Q15056 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL4334217 1.00 LIPE (0.35) LIPENR1I2ADORA2BSCN9ASCN3A
SCHEMBL7818288 0.85 ADORA2B (0.40) LIPENR1I2ADORA2BKLK7KMT2A
SCHEMBL6839247 0.85 ADORA2B (0.40) LIPENR1I2ADORA2BKLK7KMT2A
SCHEMBL6394870 0.85 ADORA2B (0.40) LIPENR1I2ADORA2BKLK7KMT2A
SCHEMBL6394866 0.85 ADORA2B (0.40) LIPENR1I2ADORA2BKLK7KMT2A
SCHEMBL4172866 0.83 GPR119 (0.33) GPR119
SCHEMBL4172859 0.83 GPR119 (0.33) GPR119
SCHEMBL4172864 0.83 GPR119 (0.33) GPR119
SCHEMBL4328956 0.82 KCNA3 (0.39) ADORA2BKMT2AMEN1POLB
SCHEMBL7772596 0.82 ELANE (0.46) KLK7KLK5GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6646123-B2 Antitumor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-11-11 US disclosed
US-20030162971-A1 Pentacyclic compound DAIICHI PHARMACEUTICAL CO., LTD. 2003-08-28 US disclosed
US-6545151-B2 Taxol derivative; antitumor agents DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-08 US disclosed
US-20010041796-A1 Pentacyclic compound TERASAWA HIROFUMI (JP) 2001-11-15 US disclosed
EP-0826688-B1 PENTACYCLIC COMPOUNDS DAIICHI SEIYAKU CO (JP) 2001-09-05 EP disclosed
US-6211363-B1 TAXANE COMPOUNDS; ANTITUMOR AGENTS DAIICHI PHARAMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
US-6075140-A A TAXOL DERIVATIVE CONTAINING PENTACYCLIC RING IN WHICH 9 AND 10 POSITION HYDROXYL GROUP ARE CHANGED TO CYCLIC ACETAL GROUP IS USEFUL AS ANTITUMOR AGENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-06-13 US disclosed
EP-0826688-A1 PENTACYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-03-04 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 (2 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-20030162971-A1 Pentacyclic compound RPL31, OXER1, BCOR LIPE 4563/4885NR1I2 158/4885ADORA2B 2994/4885
US-20010041796-A1 Pentacyclic compound RPL31, BCOR, OXER1 LIPE 4556/4885NR1I2 146/4885ADORA2B 3247/4885

“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.