SCHEMBL9997998

SCHEMBL9997998

CCc1cccc(C=C(C(C)C)C(OC(C)=O)OC(C)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.39
MEF2D Q14814 3/20 0.39
PTGS2 P35354 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
BCL2 P10415 1/20 0.34
DHODH Q02127 1/20 0.34
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
TBXAS1 P24557 1/20 0.33
GLO1 Q04760 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32

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 0.90 CYP4F2 (0.36) HDAC4MEF2DSMN1; SMN2KDM4EALDH1A1
SCHEMBL9998225 0.88 HDAC4 (0.43) HDAC4MEF2DCYP4F2CYP4A11
SCHEMBL9997478 0.86 HDAC4 (0.40) HDAC4MEF2DPTGS2SMN1; SMN2KDM4E
SCHEMBL9997480 0.86 HDAC4 (0.40) HDAC4MEF2DPTGS2SMN1; SMN2KDM4E
SCHEMBL9997909 0.85 HDAC4 (0.39) HDAC4MEF2DPTGS2SMN1; SMN2KDM4E
SCHEMBL9997907 0.85 HDAC4 (0.39) HDAC4MEF2DPTGS2SMN1; SMN2KDM4E
SCHEMBL9997436 0.85 HDAC4 (0.41) HDAC4MEF2DPTGS2SMN1; SMN2KDM4E
SCHEMBL9997438 0.85 HDAC4 (0.41) HDAC4MEF2DPTGS2SMN1; SMN2KDM4E
SCHEMBL9997930 0.83 MAOB (0.38) SMN1; SMN2KDM4EALDH1A1L3MBTL1TDP1
SCHEMBL9997711 0.83 TSHR (0.42) HDAC4MEF2DPTGS2SMN1; SMN2KDM4E

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 2039/4885PTGS2 891/4885

“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.