SCHEMBL9997489

SCHEMBL9997489

CCCCc1cccc(/C=C(\COC(C)=O)Cc2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.42
PPARG P37231 7/20 0.42
HDAC4 P56524 1/20 0.42
MEF2D Q14814 1/20 0.42
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
AKR1B10 O60218 1/20 0.37
AKR1B1 P15121 1/20 0.37
GLS O94925 1/20 0.36
PTGIR P43119 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
SCHEMBL9997491 1.00 PPARA (0.42) PPARAPPARGHDAC4MEF2DALDH1A1
SCHEMBL9997603 0.93 CYP3A4 (0.40) PPARAPPARGALDH1A1PTGESALOX5
SCHEMBL9997604 0.93 CYP3A4 (0.40) PPARAPPARGALDH1A1PTGESALOX5
SCHEMBL9998413 0.89 PPARA (0.44) PPARAPPARGHDAC4MEF2DPTGES
SCHEMBL9998414 0.89 PPARA (0.44) PPARAPPARGHDAC4MEF2DPTGES
SCHEMBL9998635 0.88 ALDH1A1 (0.48) PPARGALDH1A1HPGDHSD17B10PTGES
SCHEMBL9998634 0.88 ALDH1A1 (0.48) PPARGALDH1A1HPGDHSD17B10PTGES
SCHEMBL9997666 0.88 PPARA (0.44) PPARAPPARGHDAC4MEF2DPTGES
SCHEMBL9997667 0.88 PPARA (0.44) PPARAPPARGHDAC4MEF2DPTGES
SCHEMBL9997493 0.88 ALDH1A1 (0.42) HDAC4MEF2DALDH1A1CYP3A4CYP2C9

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.