SCHEMBL4459699

SCHEMBL4459699

CCOC(=O)CCCCn1ccc2cc(O)ccc21

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNF P01375 10/20 0.56
MCL1 Q07820 2/20 0.45
CNR1 P21554 1/20 0.45
EP300 Q09472 2/20 0.44
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL4466329 0.96 TNF (0.60) TNFMCL1CNR1KDM4EMEN1
SCHEMBL4473320 0.91 TNF (0.53) TNFMCL1KDM4EMEN1ALDH1A1
SCHEMBL3689068 0.83 F2 (0.45) TNFKDM4EMEN1ALDH1A1GAA
SCHEMBL30396580 0.83 F2 (0.45) TNFKDM4EMEN1ALDH1A1GAA
SCHEMBL1664268 0.82 TNF (0.56) TNFMCL1CNR1EP300
SCHEMBL4335712 0.82 TNF (0.51) TNFMCL1CNR1EP300
SCHEMBL860936 0.81 MCL1 (0.54) TNFMCL1MEN1KMT2A
SCHEMBL8792687 0.79 TNF (0.70) TNFCNR1
SCHEMBL3919143 0.78 MEN1 (0.54) PLGPLAUKDM4EMEN1ALDH1A1
SCHEMBL27639166 0.78 MTNR1A (0.46) MCL1KDM4EGAAMTNR1AMTNR1B

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 5 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-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 US disclosed
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 TNF 1857/4885MCL1 3756/4885CNR1 97/4885
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators PPARG, PPARA, PPARD TNF 1555/4885MCL1 3544/4885CNR1 303/4885

“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.