SCHEMBL4889176

SCHEMBL4889176

CC(C)OC(=O)CCc1cc(O)ccc1CCC(=O)OC(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA7 P43166 3/20 0.38
CA9 Q16790 3/20 0.38
CA14 Q9ULX7 3/20 0.38
HSP90AA1 P07900 1/20 0.38
EGFR P00533 1/20 0.37
NQO2 P16083 1/20 0.36
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
MIF P14174 1/20 0.35
HTR6 P50406 1/20 0.35

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
SCHEMBL4892283 0.87 HSP90AA1 (0.38) CA12CA1CA2CA7CA9
SCHEMBL4885808 0.87 HSP90AA1 (0.38) CA12CA1CA2CA7CA9
SCHEMBL4893266 0.86 NQO2 (0.39) CA12CA1CA2CA7CA9
SCHEMBL4885813 0.86 HTR6 (0.36) CA12CA1CA2CA7CA9
SCHEMBL3692384 0.86 PPARG (0.41) CA12CA1CA2CA7CA9
SCHEMBL14110319 0.85 EGFR (0.40) EGFRNQO2HTR6
SCHEMBL4892292 0.85 HTR6 (0.35) CA12CA1CA2CA7CA9
SCHEMBL3683721 0.82 EGFR (0.39) EGFRNQO2HTR6
SCHEMBL14369985 0.82 EGFR (0.39) EGFRNQO2HTR6
SCHEMBL3692383 0.81 CA12 (0.34) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) GOSSETT LYNN STACY 2008-07-10 US disclosed
US-7282501-B2 Modulators of peroxisome proliferator activated receptors (PPAR) ELI LILLY AND COMPANY (US) 2007-10-16 US disclosed
EP-1401434-B1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) LILLY CO ELI (US) 2006-11-15 EP disclosed
US-20050075378-A1 Modulators of peroxisome proliferator activated receptors (ppar) ELI LILLY AND COMPANY 2005-04-07 US disclosed
EP-1401434-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) ELI LILLY AND COMPANY (US) 2004-03-31 EP disclosed
WO-2002100403-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) ELI LILLY AND COMPANY (US) 2002-12-19 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-20050075378-A1 Modulators of peroxisome proliferator activated receptors (ppar) PPARG, PPARA, PPARD CA12 4678/4885CA1 4785/4885CA2 2464/4885
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) PPARG, PPARA, PPARD CA12 4678/4885CA1 4785/4885CA2 2464/4885

“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.