SCHEMBL5856045

SCHEMBL5856045

Cc1oc(-c2ccccc2)nc1Cc1ccc(CC2COC(C)(C)OC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.78
PPARG P37231 14/20 0.78
KDM4E B2RXH2 2/20 0.45
HRH3 Q9Y5N1 2/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
HSP90AA1 P07900 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL5855676 0.90 PPARA (0.80) PPARAPPARG
SCHEMBL5856029 0.88 PPARA (1.00) PPARAPPARG
SCHEMBL5857999 0.87 PPARA (0.63) PPARAPPARGKDM4EHRH3MEN1
SCHEMBL5857005 0.85 PPARA (0.82) PPARAPPARGKDM4E
SCHEMBL5855726 0.80 PPARA (0.80) PPARAPPARGKDM4EHRH3MEN1
SCHEMBL5857078 0.79 PPARA (1.00) PPARAPPARG
SCHEMBL5858424 0.78 PPARA (0.78) PPARAPPARGHRH3
SCHEMBL5857394 0.76 PPARA (0.80) PPARAPPARGKDM4E
SCHEMBL5858210 0.76 PPARA (0.83) PPARAPPARG
SCHEMBL4248340 0.75 PPARA (1.00) 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 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 393/4885KDM4E 1600/4885
US-20050009892-A1 Heterocyclic compounds GPR119, LIPC, LIPE PPARA 579/4885PPARG 603/4885KDM4E 1141/4885
US-20040162325-A1 Heterocyclic compounds LIPE, GPR119, LIPC PPARA 660/4885PPARG 701/4885KDM4E 1321/4885
US-20030166697-A1 Heterocyclic compounds LIPE, GPR119, LIPC PPARA 660/4885PPARG 701/4885KDM4E 1321/4885

“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.