SCHEMBL5856474

SCHEMBL5856474

COC(=O)C(C)(C)OCCCCCBr

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
FAAH O00519 1/20 0.32
DGAT1 O75907 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL5857183 1.00 CYP4F2 (0.42) CYP4F2CYP4A11FAAHDGAT1TSHR
SCHEMBL5857558 1.00 CYP4F2 (0.42) CYP4F2CYP4A11FAAHDGAT1TSHR
SCHEMBL5855517 1.00 CYP4F2 (0.42) CYP4F2CYP4A11FAAHDGAT1TSHR
SCHEMBL5855704 0.82 CYP4F2 (0.64) CYP4F2CYP4A11FAAHTSHRALDH1A1
SCHEMBL4919828 0.79 CYP4F2 (0.46) CYP4F2CYP4A11DGAT1TSHRALDH1A1
SCHEMBL20254061 0.79 CYP4A11 (0.54) CYP4F2CYP4A11DGAT1TSHR
SCHEMBL20057255 0.79 CYP4F2 (0.42) CYP4F2CYP4A11DGAT1TSHRALDH1A1
SCHEMBL5857277 0.77 ALDH1A1 (0.50) CYP4F2CYP4A11TSHRALDH1A1LMNA
SCHEMBL5855843 0.77 ALDH1A1 (0.50) CYP4F2CYP4A11TSHRALDH1A1LMNA
SCHEMBL5858394 0.77 ALDH1A1 (0.50) CYP4F2CYP4A11TSHRALDH1A1LMNA

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 12 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
CN-1238347-C Heterocyclic derivatives NIPPON SHINYAKU CO LTD (JP) 2006-01-25 CN disclosed
US-20050009892-A1 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2005-01-13 US disclosed
US-20050009785-A1 Heterocyclic compounds KUWABARA KENJI (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 (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 118/4885FAAH 910/4885
US-20050009892-A1 Heterocyclic compounds GPR119, LIPC, LIPE CYP4F2 733/4885CYP4A11 118/4885FAAH 831/4885
US-20040162325-A1 Heterocyclic compounds LIPE, GPR119, LIPC CYP4F2 727/4885CYP4A11 126/4885FAAH 633/4885
US-20030166697-A1 Heterocyclic compounds LIPE, GPR119, LIPC CYP4F2 727/4885CYP4A11 126/4885FAAH 633/4885

“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.