SCHEMBL9998225

SCHEMBL9998225

CCCCc1cccc(C=C(C(C)C)C(OC(C)=O)OC(C)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.43
MEF2D Q14814 1/20 0.43
PPARA Q07869 7/20 0.38
PPARG P37231 6/20 0.38
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
CYP2D6 P10635 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
SCHEMBL9998234 0.93 CYP4F2 (0.36) HDAC4MEF2DPPARAPPARGPTGES
SCHEMBL9997487 0.88 HDAC4 (0.44) HDAC4MEF2DPPARAPPARGPTGES
SCHEMBL9997486 0.88 HDAC4 (0.44) HDAC4MEF2DPPARAPPARGPTGES
SCHEMBL9997998 0.88 HDAC4 (0.39) HDAC4MEF2DCYP4F2CYP4A11
SCHEMBL9997582 0.87 HDAC4 (0.43) HDAC4MEF2DPPARAPPARGPTGES
SCHEMBL9998283 0.87 HDAC4 (0.43) HDAC4MEF2DPPARAPPARGPTGES
SCHEMBL9997457 0.86 HDAC4 (0.45) HDAC4MEF2DPPARAPPARGPTGES
SCHEMBL9997458 0.86 HDAC4 (0.45) HDAC4MEF2DPPARAPPARGPTGES
SCHEMBL9997406 0.85 ALDH1A1 (0.41)
SCHEMBL9997453 0.85 HDAC4 (0.42) HDAC4MEF2DPPARAPPARGPTGES

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 2039/4885PPARA 2711/4885

“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.