SCHEMBL5858411

SCHEMBL5858411

COC(=O)C(C)(C)OCCCCCCCc1coc(-c2ccc(Cl)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.42
PPARG P37231 7/20 0.42
PPARD Q03181 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL5855718 0.90 LMNA (0.45) PPARAPPARGPPARDHDAC1HDAC8
SCHEMBL5855890 0.90 LMNA (0.45) PPARAPPARGPPARDHDAC1HDAC8
SCHEMBL5858343 0.89 PPARA (0.53) PPARAPPARGPPARDHDAC1HDAC8
SCHEMBL5858433 0.89 PPARA (0.53) PPARAPPARGPPARDHDAC1HDAC8
SCHEMBL5858320 0.89 PPARA (0.53) PPARAPPARGPPARDHDAC1HDAC8
SCHEMBL5856115 0.89 PPARA (0.53) PPARAPPARGPPARDHDAC1HDAC8
SCHEMBL5858065 0.80 PPARA (0.66) PPARAPPARGPPARDLMNAALDH1A1
SCHEMBL5856339 0.79 PPARG (0.64) PPARAPPARGPPARDLMNAALDH1A1
SCHEMBL5857029 0.79 PPARG (0.64) PPARAPPARGPPARDLMNAALDH1A1
SCHEMBL5858533 0.79 PPARG (0.64) PPARAPPARGPPARDLMNAALDH1A1

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-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
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 PPARA 464/4885PPARG 393/4885PPARD 912/4885
US-20050009892-A1 Heterocyclic compounds GPR119, LIPC, LIPE PPARA 579/4885PPARG 603/4885PPARD 646/4885
US-20040162325-A1 Heterocyclic compounds LIPE, GPR119, LIPC PPARA 660/4885PPARG 701/4885PPARD 875/4885
US-20030166697-A1 Heterocyclic compounds LIPE, GPR119, LIPC PPARA 660/4885PPARG 701/4885PPARD 875/4885

“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.