SCHEMBL6358041

SCHEMBL6358041

CCCCCCCNCCc1cccc(OC(C)(CC)C(=O)OCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.53
PPARG P37231 5/20 0.53
CYP2D6 P10635 6/20 0.49
SIGMAR1 Q99720 1/20 0.47
KCNH2 Q12809 2/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
POLB P06746 1/20 0.43
CETP P11597 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 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
SCHEMBL6358165 0.87 CNR2 (0.51) PPARAPPARGCNR1CNR2
SCHEMBL6418437 0.84 ALDH1A1 (0.45) PPARAPPARGCYP2D6KCNH2CNR1
SCHEMBL6359751 0.79 PPARA (0.52) PPARAPPARGCETP
SCHEMBL6363309 0.78 PPARA (0.61) PPARAPPARGCNR1CNR2
SCHEMBL6359208 0.75 PPARA (0.44) PPARAPPARGCNR2CETP
SCHEMBL6359770 0.75 PPARA (0.51) PPARAPPARG
SCHEMBL6364312 0.74 PPARG (0.58) PPARAPPARGCNR1
SCHEMBL17283414 0.73 CHRM2 (0.68) CYP2D6SIGMAR1
SCHEMBL27728328 0.73 CHRM2 (0.68) CYP2D6SIGMAR1
SCHEMBL6545236 0.72 PPARA (0.48) PPARAPPARGCYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075377-A1 PPAR compounds PFIZER INC 2005-04-07 US disclosed
EP-1372632-A1 PROLIFERATIVE ACTIVATOR RECEPTOR (PPAR) COMPOUNDS Pfizer Products Inc. (US) 2004-01-02 EP disclosed
US-20020169192-A1 PPAR compounds HAYWARD CHERYL M (US) 2002-11-14 US disclosed
WO-2002064130-A1 PROLIFERATIVE ACTIVATOR RECEPTOR (PPAR) COMPOUNDS PFIZER PRODUCTS INC. (US) 2002-08-22 WO 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-20020169192-A1 PPAR compounds PPARA, PPARG, PPARD PPARA 1/4885PPARG 2/4885CYP2D6 2291/4885
US-20050075377-A1 PPAR compounds PPARA, PPARG, PPARD PPARA 1/4885PPARG 2/4885CYP2D6 2291/4885

“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.