SCHEMBL21068949

SCHEMBL21068949

CCOC(=O)COCc1ccc(OCCO[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.41
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PLA2G4B P0C869 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LTA4H P09960 10/20 0.39
HRH3 Q9Y5N1 1/20 0.39
DRD2 P14416 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
SCHEMBL8447038 0.81 CYSLTR2 (0.50) MAPTLTA4HDRD2
SCHEMBL21068788 0.80 DRD2 (0.42) GAANPSR1KDM4EALDH1A1TP53
SCHEMBL21068721 0.80 GAA (0.48) TBXAS1GAANPSR1PLA2G4BKDM4E
SCHEMBL21069039 0.76 PPARA (0.45) PLA2G4BHRH3DRD2
SCHEMBL4959621 0.76 DUT (0.39) PLA2G4BALDH1A1MAPTHPGDHRH3
SCHEMBL20442640 0.75 NR1H4 (0.60) ALDH1A1LTA4H
SCHEMBL23754914 0.74 ALDH1A1 (0.45) ALDH1A1HPGD
SCHEMBL662362 0.74 PPARG (0.41) KDM4EALDH1A1MAPTLTA4HHRH3
SCHEMBL11084824 0.74 KMT2A (0.50) TBXAS1GAANPSR1ALDH1A1MAPT
SCHEMBL275331 0.74 LTA4H (0.47) LTA4HDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3727355-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER AstraZeneca AB (SE) 2020-10-28 EP disclosed
CN-111491623-A Compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2020-08-04 CN disclosed
US-20190194190-A1 Compounds and Their Use in Treating Cancer ASTRAZENECA PHARMACEUTICALS LP 2019-06-27 US disclosed
US-20190194190-A1 Compounds and Their Use in Treating Cancer ASTRAZENECA PHARMACEUTICALS LP 2019-06-27 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-20190194190-A1 Compounds and Their Use in Treating Cancer F12, CCNY, CCNE1 TBXAS1 926/4885GAA 490/4885NPSR1 1006/4885

“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.