SCHEMBL4574832

SCHEMBL4574832

CCOC(=O)C(C)(C)Oc1ccc(CCN(Cc2ccc(C(F)(F)F)cc2)c2ccc([N+](=O)[O-])cn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 4/20 0.40
PKM P14618 1/20 0.39
PPARA Q07869 6/20 0.39
PPARG P37231 2/20 0.39
KCNH2 Q12809 3/20 0.39
PPARD Q03181 4/20 0.39
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 1/20 0.38
ABCB11 O95342 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
HTR2A P28223 1/20 0.37
PMP22 Q01453 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL4575449 0.90 PPARD (0.49) PKMPPARAPPARGKCNH2PPARD
SCHEMBL6638435 0.90 PPARD (0.49) PKMPPARAPPARGKCNH2PPARD
SCHEMBL4575509 0.87 PPARA (0.40) FBP1PPARAPPARGPPARDNPSR1
SCHEMBL4575784 0.87 PPARA (0.40) PPARAPPARGPPARDMAPTABCB11
SCHEMBL4575691 0.87 MAOB (0.44) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL4575411 0.85 FBP1 (0.39) FBP1PPARAPPARGPPARDNPSR1
SCHEMBL4575218 0.85 PPARA (0.39) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL4575347 0.85 GRM2 (0.39) FBP1PPARAPPARGPPARDNPSR1
SCHEMBL4576065 0.85 MAOB (0.40) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL4575563 0.83 MCHR1 (0.38) PPARAPPARGKCNH2PPARDABCB11

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-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-20050137212-A1 Hppars activators SMITHKLINE BEECHAM CORPORATION 2005-06-23 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 (1 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-20050137212-A1 Hppars activators PPARG, PPARA, PPARD FBP1 241/4885PKM 1203/4885PPARA 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.