SCHEMBL21068538

SCHEMBL21068538

CCOC(=O)COCc1cccc(CCCO)c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 5/20 0.59
CYP4A11 Q02928 5/20 0.59
PPARA Q07869 4/20 0.53
PPARG P37231 3/20 0.53
HRH3 Q9Y5N1 1/20 0.40
ALOX5 P09917 1/20 0.40
ABCB1 P08183 1/20 0.39
NLRP3 Q96P20 2/20 0.39

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
SCHEMBL23308028 0.86 PPARA (0.47) CYP4F2CYP4A11PPARAPPARGHRH3
SCHEMBL3175607 0.83 CYP4F2 (0.65) CYP4F2CYP4A11PPARAPPARGALOX5
SCHEMBL29200252 0.82 CYP4F2 (0.55) CYP4F2CYP4A11PPARAPPARG
SCHEMBL30771521 0.82 CYP4F2 (0.55) CYP4F2CYP4A11PPARAPPARG
SCHEMBL13791088 0.81 NLRP3 (0.47) PPARAPPARGHRH3NLRP3
SCHEMBL3255549 0.81 KMT2A (0.51) PPARAPPARGNLRP3
SCHEMBL21069039 0.80 PPARA (0.45) CYP4F2CYP4A11PPARAPPARGHRH3
SCHEMBL3254928 0.79 MAOB (0.51) PPARAPPARGNLRP3
SCHEMBL7035447 0.79 HCAR2 (0.49) PPARAPPARG
SCHEMBL3254957 0.78 PPARA (0.52) PPARAPPARG

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 3 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
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 355/4885PPARA 2767/4885

“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.