SCHEMBL9998219

SCHEMBL9998219

CCc1cccc(C=C(COC(C)=O)C(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.39
MEF2D Q14814 2/20 0.39
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GLO1 Q04760 2/20 0.38
PTGS2 P35354 1/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
BCL2 P10415 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
RAB9A P51151 1/20 0.34
TBXAS1 P24557 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL9997904 0.90 PPARA (0.38) HDAC4MEF2DGLO1ALDH1A1KMT2A
SCHEMBL9997942 0.87 PPARA (0.44) HDAC4MEF2D
SCHEMBL9998132 0.85 HDAC4 (0.41) HDAC4MEF2DMAPK1L3MBTL1TSHR
SCHEMBL9998141 0.85 HDAC4 (0.41) HDAC4MEF2DMAPK1L3MBTL1TSHR
SCHEMBL9997664 0.83 LMNA (0.44) MAPK1TDP1GLO1PTGS2ALDH1A1
SCHEMBL9997488 0.83 AKR1C3 (0.41) MAPK1L3MBTL1TDP1ALDH1A1SMN1; SMN2
SCHEMBL9998187 0.82 HDAC4 (0.40) HDAC4MEF2DMAPK1L3MBTL1TSHR
SCHEMBL9998221 0.82 FBP1 (0.44) PTGS2ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL9998190 0.82 HDAC4 (0.40) HDAC4MEF2DMAPK1L3MBTL1TSHR
SCHEMBL9997762 0.82 PPARG (0.37) HDAC4TDP1GLO1ALDH1A1SMN1; SMN2

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-8558012-B2 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative, production method thereof, and production method of monofluoromethyl group-containing compound using the same NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2013-10-15 US disclosed
US-20110319637-A1 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2011-12-29 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-20110319637-A1 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME CBR1, CYP1B1, CYP2F1 HDAC4 2865/4885MEF2D 2039/4885MAPK1 1707/4885

“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.