SCHEMBL9998133

SCHEMBL9998133

CCCc1cccc(/C=C(\CC)COC(C)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.38
PPARG P37231 3/20 0.38
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
ALDH1A1 P00352 1/20 0.36
HDAC4 P56524 1/20 0.36
MEF2D Q14814 1/20 0.36
ALOX5 P09917 2/20 0.34
GLO1 Q04760 1/20 0.34
MAPT P10636 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGES O14684 1/20 0.33
TBXAS1 P24557 1/20 0.33
KAT6A Q92794 1/20 0.33

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
SCHEMBL9998135 1.00 PPARA (0.38) PPARAPPARGCYP4F2CYP4A11ALDH1A1
SCHEMBL9998413 0.92 PPARA (0.44) PPARAPPARGCYP4F2CYP4A11HDAC4
SCHEMBL9998414 0.92 PPARA (0.44) PPARAPPARGCYP4F2CYP4A11HDAC4
SCHEMBL9997497 0.91 PPARA (0.38) PPARAPPARGCYP4F2CYP4A11ALDH1A1
SCHEMBL9997496 0.91 PPARA (0.38) PPARAPPARGCYP4F2CYP4A11ALDH1A1
SCHEMBL9998187 0.89 HDAC4 (0.40) CYP4F2CYP4A11ALDH1A1HDAC4MEF2D
SCHEMBL9998190 0.89 HDAC4 (0.40) CYP4F2CYP4A11ALDH1A1HDAC4MEF2D
SCHEMBL9997604 0.89 CYP3A4 (0.40) PPARAPPARGCYP4F2CYP4A11ALDH1A1
SCHEMBL9997603 0.89 CYP3A4 (0.40) PPARAPPARGCYP4F2CYP4A11ALDH1A1
SCHEMBL9997342 0.86 PPARA (0.40) PPARAPPARGCYP4F2CYP4A11ALDH1A1

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 2160/4885CYP4F2 14/4885

“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.