SCHEMBL9997686

SCHEMBL9997686

CCCCc1cccc(C=C(C)COC(C)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.46
PPARG P37231 6/20 0.46
HDAC4 P56524 1/20 0.46
MEF2D Q14814 1/20 0.46
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38

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
SCHEMBL9997920 1.00 PPARA (0.46) PPARAPPARGHDAC4MEF2DCYP4F2
SCHEMBL9997342 0.92 PPARA (0.40) PPARAPPARGHDAC4MEF2DCYP4F2
SCHEMBL9997343 0.92 PPARA (0.40) PPARAPPARGHDAC4MEF2DCYP4F2
SCHEMBL9998413 0.87 PPARA (0.44) PPARAPPARGHDAC4MEF2DCYP4F2
SCHEMBL9998414 0.87 PPARA (0.44) PPARAPPARGHDAC4MEF2DCYP4F2
SCHEMBL9998132 0.86 HDAC4 (0.41) HDAC4MEF2DCYP4F2CYP4A11
SCHEMBL9998141 0.86 HDAC4 (0.41) HDAC4MEF2DCYP4F2CYP4A11
SCHEMBL9997942 0.86 PPARA (0.44) PPARAPPARGHDAC4MEF2DCYP4F2
SCHEMBL9997667 0.86 PPARA (0.44) PPARAPPARGHDAC4MEF2DCYP4F2
SCHEMBL9997666 0.86 PPARA (0.44) PPARAPPARGHDAC4MEF2DCYP4F2

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 PPARA 2711/4885PPARG 2160/4885HDAC4 2865/4885

“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.