SCHEMBL133937

SCHEMBL133937

CC(C)(C)c1ccccc1OC(CCCCCCBr)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.46
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
RBP4 P02753 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
PPARA Q07869 4/20 0.37
CTRC Q99895 1/20 0.37
PTGS2 P35354 2/20 0.37
FOLH1 Q04609 1/20 0.37
PTGES O14684 1/20 0.36
ALOX5 P09917 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
SCHEMBL8935730 0.79 PPARG (0.54) PPARGRXRARXRBRXRGATM
SCHEMBL8935731 0.79 PPARG (0.54) PPARGRXRARXRBRXRGATM
SCHEMBL9623616 0.78 RXRA (0.51) PPARGRXRARXRBRXRGTDP1
SCHEMBL30639267 0.75 CTRC (0.54) PPARGKDM4EALDH1A1PPARACTRC
SCHEMBL9698444 0.74 PPARG (0.46) PPARGKDM4EALDH1A1PPARACTRC
SCHEMBL13673933 0.71 ALDH1A1 (0.60) RXRARXRBRXRGATMTDP1
SCHEMBL5696283 0.71 KMT2A (0.62) PPARGRXRARXRBRXRGATM
SCHEMBL11521450 0.70 KMT2A (0.53) PPARGALDH1A1PPARACTRCPTGES
SCHEMBL14565994 0.70 CTRC (0.50) PPARGTDP1KDM4EALDH1A1PPARA
SCHEMBL568454 0.70 CTRC (0.50) PPARGATMKDM4EALDH1A1PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530634-B2 Method of oligonucleotide labeling using cycloaddition reaction CHEMGENES CORPORATION (US) 2013-09-10 US disclosed
US-20120058476-A1 Method Of Oligonucleotide Labeling Using Cycloaddition Reaction CHEMGENES CORPORATION 2012-03-08 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-20120058476-A1 Method Of Oligonucleotide Labeling Using Cycloaddition Reaction CBR3, CYB5R3, DUT PPARG 3937/4885RXRA 2266/4885RXRB 1655/4885

“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.