SCHEMBL21069035

SCHEMBL21069035

CCOC(=O)COCCC(C)(C)CCO

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 4/20 0.38
CYP4A11 Q02928 4/20 0.38
GAA P10253 3/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
ALDH1A1 P00352 2/20 0.35
TRPA1 O75762 1/20 0.35
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 1/20 0.32
NLRP3 Q96P20 3/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KMT2A Q03164 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
SCHEMBL19917367 0.80 GAA (0.41) CYP4F2CYP4A11GAAMGAMSI
SCHEMBL21068488 0.80 GAA (0.32) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL50342 0.79 ALDH1A1 (0.50) CYP4F2CYP4A11GAAMGAMSI
SCHEMBL21068630 0.79 CYP4F2 (0.35) CYP4F2CYP4A11GAAMGAMSI
Methyl Alcohol SCHEMBL28326399 0.77 ALDH1A1 (0.48) CYP4F2CYP4A11GAAMGAMSI
SCHEMBL23651715 0.77 GAA (0.39) CYP4F2CYP4A11GAAMGAMSI
SCHEMBL21016158 0.77 GAA (0.34) CYP4F2CYP4A11GAAMGAMSI
SCHEMBL1644985 0.77 GAA (0.39) CYP4F2CYP4A11GAAMGAMSI
SCHEMBL11163358 0.77 GAA (0.55) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27357474 0.77 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1

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 355/4885GAA 490/4885

“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.