SCHEMBL5858028

SCHEMBL5858028

CCOC(=O)C(C)(C)OCCCC#CCBr

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.54
CYP4A11 Q02928 3/20 0.54
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARA Q07869 2/20 0.34
ABCB11 O95342 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
HTR2A P28223 1/20 0.34
PMP22 Q01453 1/20 0.34
TRPA1 O75762 1/20 0.32
ALDH1A1 P00352 1/20 0.32
THRB P10828 1/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.30
PPARG P37231 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
SCHEMBL5856846 0.86 CYP4F2 (0.59) CYP4F2CYP4A11MEN1KMT2APPARA
SCHEMBL5855704 0.78 CYP4F2 (0.64) CYP4F2CYP4A11MEN1KMT2APPARA
SCHEMBL4917937 0.77 CYP4F2 (0.67) CYP4F2CYP4A11MEN1KMT2APPARA
SCHEMBL14960350 0.73 CYP4F2 (0.61) CYP4F2CYP4A11MEN1KMT2APPARA
SCHEMBL11787429 0.72 CYP4F2 (0.66) CYP4F2CYP4A11MEN1KMT2APPARA
SCHEMBL5855928 0.72 CYP4F2 (0.46) CYP4F2CYP4A11MEN1KMT2A
SCHEMBL5855853 0.71 CYP4F2 (0.64) CYP4F2CYP4A11MEN1KMT2APPARA
SCHEMBL11014093 0.70 CYP1A2 (0.50) CYP4F2CYP4A11MEN1KMT2ACYP1A2
SCHEMBL195662 0.70 CYP4F2 (0.56) CYP4F2CYP4A11MEN1KMT2APPARA
SCHEMBL23309176 0.70 CYP4F2 (1.00) CYP4F2CYP4A11MEN1KMT2APPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 (4 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 118/4885MEN1 1291/4885
US-20050009892-A1 Heterocyclic compounds GPR119, LIPC, LIPE CYP4F2 733/4885CYP4A11 118/4885MEN1 1359/4885
US-20040162325-A1 Heterocyclic compounds LIPE, GPR119, LIPC CYP4F2 727/4885CYP4A11 126/4885MEN1 1356/4885
US-20030166697-A1 Heterocyclic compounds LIPE, GPR119, LIPC CYP4F2 727/4885CYP4A11 126/4885MEN1 1356/4885

“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.