SCHEMBL21068630

SCHEMBL21068630

CCOC(=O)COCCOCCC(F)(F)CCO

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 4/20 0.35
CYP4A11 Q02928 4/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
CES2 O00748 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TRPA1 O75762 1/20 0.32
TSHR P16473 2/20 0.31
NLRP3 Q96P20 1/20 0.30

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
SCHEMBL27357474 0.80 GAA (0.41) MGAMGAASIMGAM2CES2
SCHEMBL20305724 0.79 ALDH1A1 (0.46) CYP4F2CYP4A11MGAMGAASI
SCHEMBL243267 0.79 ALDH1A1 (0.46) CYP4F2CYP4A11MGAMGAASI
SCHEMBL23636447 0.79 ALDH1A1 (0.46) CYP4F2CYP4A11MGAMGAASI
SCHEMBL5691531 0.79 ALDH1A1 (0.46) CYP4F2CYP4A11MGAMGAASI
SCHEMBL23636486 0.79 ALDH1A1 (0.46) CYP4F2CYP4A11MGAMGAASI
SCHEMBL1401418 0.79 ALDH1A1 (0.46) CYP4F2CYP4A11MGAMGAASI
SCHEMBL6665142 0.79 GAA (0.52) MGAMGAASIMGAM2ALDH1A1
SCHEMBL21069035 0.79 CYP4F2 (0.38) CYP4F2CYP4A11MGAMGAASI
SCHEMBL21069076 0.78 PPID (0.41) ALDH1A1

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 CYP4F2 107/4885CYP4A11 355/4885MGAM 2541/4885

“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.