SCHEMBL3173395

SCHEMBL3173395

CCOC(=O)C(C)(C)OC(=O)Cc1c(C)cc(I)cc1C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.38
ABCB11 O95342 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
HTR2A P28223 1/20 0.38
PMP22 Q01453 1/20 0.38
FBP1 P09467 8/20 0.34
PPARG P37231 1/20 0.34
CNR2 P34972 3/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
PIN1 Q13526 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL2430594 0.81 PPARA (0.35) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL812012 0.79 TSHR (0.51) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3771725 0.79 SMN1; SMN2 (0.42) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL1476962 0.77 PPARA (0.38) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL1813981 0.71 CNR2 (0.43) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL4678703 0.70 CYP4F2 (0.43) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL1153447 0.70 CNR2 (0.46) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL7132418 0.69 ABCB11 (0.51) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL4672818 0.69 ALDH1A1 (0.50) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL24160972 0.68 ALDH1A1 (0.43) PPARAABCB11CYP1A2CYP3A4TSHR

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-8629084-B2 Iodine-phenyl-substituted cyclic cetoenols BAYER CROPSCIENCE AG (DE) 2014-01-14 US disclosed
US-8629084-B2 Iodine-phenyl-substituted cyclic cetoenols BAYER CROPSCIENCE AG (DE) 2014-01-14 US disclosed
US-8629084-B2 Iodine-phenyl-substituted cyclic cetoenols BAYER CROPSCIENCE AG (DE) 2014-01-14 US disclosed
US-20100009850-A1 Iodine-phenyl-substituted cyclic cetoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-01-14 US disclosed
US-20100009850-A1 Iodine-phenyl-substituted cyclic cetoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-01-14 US disclosed
US-20100009850-A1 Iodine-phenyl-substituted cyclic cetoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-01-14 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-20100009850-A1 Iodine-phenyl-substituted cyclic cetoenols KCNE1, KCNH3, KCNH2 PPARA 850/4885ABCB11 621/4885CYP1A2 151/4885

“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.