SCHEMBL4464391

SCHEMBL4464391

CCOC(=O)Cn1ccc2cc(OCCCO)ccc21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 6/20 0.50
▸ PPARD Q03181 6/20 0.50
▸ PPARA Q07869 6/20 0.50
▸ MCL1 Q07820 4/20 0.48
▸ PLA2G4A P47712 2/20 0.48
▸ MAPT P10636 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ BCL2 P10415 2/20 0.44
▸ ITGB3 P05106 1/20 0.43
▸ ITGAV P06756 1/20 0.43
▸ ADA P00813 1/20 0.42

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
SCHEMBL9979614 0.91 MCL1 (0.51) PPARGPPARDPPARAMCL1PLA2G4A
SCHEMBL29138523 0.85 MTNR1A (0.56) MAPTKMT2A
SCHEMBL4478676 0.81 PPARD (0.56) PPARGPPARDPPARAMCL1KMT2A
SCHEMBL30395677 0.81 PPARD (0.56) PPARGPPARDPPARAMCL1KMT2A
SCHEMBL4467932 0.81 PPARG (0.45) PPARGPPARDPPARAMCL1PLA2G4A
SCHEMBL4468257 0.80 CA12 (0.48) PPARGPPARDPPARAMCL1PLA2G4A
SCHEMBL30396580 0.78 F2 (0.45) MAPTKMT2A
SCHEMBL3689068 0.78 F2 (0.45) MAPTKMT2A
SCHEMBL3873618 0.78 PPARG (0.44) PPARGPPARDPPARAMCL1PLA2G4A
SCHEMBL2006435 0.78 MCL1 (0.45) PPARGPPARDPPARAMCL1PLA2G4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 — — US disclosed
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators ELI LILLY AND COMPANY 2006-09-28 — — US disclosed
US-20060166983-A1 Indole derivatives as ppar modulators ELI LILLY AND COMPANY 2006-07-27 — — US 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 (2 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-20060166983-A1 Indole derivatives as ppar modulators PPARA, PPARD, PPARG PPARG 3/4885PPARD 2/4885PPARA 1/4885
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators PPARG, PPARA, PPARD PPARG 1/4885PPARD 3/4885PPARA 2/4885

“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.

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