SCHEMBL5855704

SCHEMBL5855704

CCOC(=O)C(C)(C)OCCCCCCBr

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.64
CYP4A11 Q02928 3/20 0.64
PPARA Q07869 3/20 0.37
ABCB11 O95342 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
HTR2A P28223 1/20 0.37
PMP22 Q01453 1/20 0.37
HTT P42858 1/20 0.37
PPARG P37231 1/20 0.35
TRPA1 O75762 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
THRB P10828 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL5855853 0.83 CYP4F2 (0.64) CYP4F2CYP4A11PPARAABCB11CYP1A2
SCHEMBL5857183 0.82 CYP4F2 (0.42) CYP4F2CYP4A11TSHRALDH1A1KMT2A
SCHEMBL5856474 0.82 CYP4F2 (0.42) CYP4F2CYP4A11TSHRALDH1A1KMT2A
SCHEMBL5857558 0.82 CYP4F2 (0.42) CYP4F2CYP4A11TSHRALDH1A1KMT2A
SCHEMBL5855517 0.82 CYP4F2 (0.42) CYP4F2CYP4A11TSHRALDH1A1KMT2A
SCHEMBL4917937 0.82 CYP4F2 (0.67) CYP4F2CYP4A11PPARAABCB11CYP1A2
SCHEMBL11787429 0.81 CYP4F2 (0.66) CYP4F2CYP4A11PPARAABCB11CYP1A2
SCHEMBL23309176 0.78 CYP4F2 (1.00) CYP4F2CYP4A11PPARAABCB11CYP1A2
SCHEMBL5858028 0.78 CYP4F2 (0.54) CYP4F2CYP4A11PPARAABCB11CYP1A2
SCHEMBL14960350 0.77 CYP4F2 (0.61) CYP4F2CYP4A11PPARAABCB11CYP1A2

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 16 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
US-7144906-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-12-05 US disclosed
US-7030143-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-04-18 US disclosed
US-7022723-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-04-04 US disclosed
EP-1634876-A2 Heterocyclic compounds for the treatment of hyperlipidemia agents Nippon Shinyaku Co., Ltd. (JP) 2006-03-15 EP disclosed
US-6998412-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-02-14 US disclosed
CN-1238347-C Heterocyclic derivatives NIPPON SHINYAKU CO LTD (JP) 2006-01-25 CN disclosed
US-20050009785-A1 Heterocyclic compounds KUWABARA KENJI (JP) 2005-01-13 US disclosed
US-20050009892-A1 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2005-01-13 US disclosed
US-20040162325-A1 Heterocyclic compounds KUWABARA KENJI (JP) 2004-08-19 US disclosed
US-20030166697-A1 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2003-09-04 US disclosed
CN-1430612-A Hete rocyclic derivatives NIPPON SHINYAKU CO LTD (JP) 2003-07-16 CN disclosed
EP-1295875-A1 HETEROCYCLIC COMPOUNDS Nippon Shinyaku Co., Ltd. (JP) 2003-03-26 EP 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 (5 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-20050009785-A1 Heterocyclic compounds LIPC, GPR119, APOB CYP4F2 633/4885CYP4A11 118/4885PPARA 464/4885
US-20050009892-A1 Heterocyclic compounds GPR119, LIPC, LIPE CYP4F2 733/4885CYP4A11 118/4885PPARA 579/4885
US-20040162325-A1 Heterocyclic compounds LIPE, GPR119, LIPC CYP4F2 727/4885CYP4A11 126/4885PPARA 660/4885
US-20030166697-A1 Heterocyclic compounds LIPE, GPR119, LIPC CYP4F2 727/4885CYP4A11 126/4885PPARA 660/4885
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.