SCHEMBL21068889

SCHEMBL21068889

CC(C)(C)[Si](C)(C)OCCC=CCCOCC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
PTGS1 P23219 1/20 0.37
CYP2C19 P33261 1/20 0.37
DUT P33316 1/20 0.31

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
SCHEMBL21068886 1.00 EPHX2 (0.38) EPHX2PTGS1CYP2C19DUT
SCHEMBL34465027 0.84 DUT (0.41) DUT
SCHEMBL4598387 0.83 DUT (0.40) DUT
SCHEMBL15061387 0.81 DUT (0.36) EPHX2CYP2C19DUT
SCHEMBL28436718 0.79 DUT (0.32) DUT
SCHEMBL4483910 0.78 GABRR1 (0.33) DUT
SCHEMBL4480765 0.78 GABRR1 (0.33) DUT
SCHEMBL4480762 0.78 GABRR1 (0.33) DUT
SCHEMBL21068537 0.75
SCHEMBL2713060 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 EPHX2 189/4885PTGS1 1518/4885CYP2C19 103/4885

“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.