SCHEMBL9998379

SCHEMBL9998379

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
HDAC4 P56524 3/20 0.36
MEF2D Q14814 3/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALOX5 P09917 2/20 0.34
PPARA Q07869 4/20 0.33
PPARG P37231 3/20 0.33
PTGES O14684 1/20 0.33
TBXAS1 P24557 1/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
KAT6A Q92794 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 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
SCHEMBL9998380 1.00 CYP4F2 (0.37) CYP4F2CYP4A11HDAC4MEF2DALDH1A1
SCHEMBL9997487 0.92 HDAC4 (0.44) CYP4F2CYP4A11HDAC4MEF2DALOX5
SCHEMBL9997486 0.92 HDAC4 (0.44) CYP4F2CYP4A11HDAC4MEF2DALOX5
SCHEMBL9997925 0.91 CYP4F2 (0.36) CYP4F2CYP4A11HDAC4MEF2DALDH1A1
SCHEMBL9997924 0.91 CYP4F2 (0.36) CYP4F2CYP4A11HDAC4MEF2DALDH1A1
SCHEMBL9997478 0.89 HDAC4 (0.40) CYP4F2CYP4A11HDAC4MEF2DALDH1A1
SCHEMBL9997480 0.89 HDAC4 (0.40) CYP4F2CYP4A11HDAC4MEF2DALDH1A1
SCHEMBL9998129 0.89 CYP3A4 (0.40) CYP4F2CYP4A11HDAC4MEF2DALDH1A1
SCHEMBL9998130 0.89 CYP3A4 (0.40) CYP4F2CYP4A11HDAC4MEF2DALDH1A1
SCHEMBL9997550 0.88 CYP4F2 (0.38) CYP4F2CYP4A11HDAC4MEF2DALDH1A1

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 CYP4F2 14/4885CYP4A11 216/4885HDAC4 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.