SCHEMBL9997478

SCHEMBL9997478

CC/C(=C\c1cccc(CC)c1)C(OC(C)=O)OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.40
MEF2D Q14814 3/20 0.40
PTGS2 P35354 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
BCL2 P10415 1/20 0.35
DHODH Q02127 1/20 0.35
TBXAS1 P24557 1/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
GLO1 Q04760 1/20 0.33
MAPT P10636 1/20 0.33
SLC9A1 P19634 1/20 0.33
SLC9A3 P48764 1/20 0.33
SLC9A2 Q9UBY0 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
SCHEMBL9997480 1.00 HDAC4 (0.40) HDAC4MEF2DPTGS2SMN1; SMN2KDM4E
SCHEMBL9997907 0.90 HDAC4 (0.39) HDAC4MEF2DPTGS2SMN1; SMN2KDM4E
SCHEMBL9997909 0.90 HDAC4 (0.39) HDAC4MEF2DPTGS2SMN1; SMN2KDM4E
SCHEMBL9998380 0.89 CYP4F2 (0.37) HDAC4MEF2DSMN1; SMN2KDM4EALDH1A1
SCHEMBL9998379 0.89 CYP4F2 (0.37) HDAC4MEF2DSMN1; SMN2KDM4EALDH1A1
SCHEMBL9997711 0.88 TSHR (0.42) HDAC4MEF2DPTGS2SMN1; SMN2KDM4E
SCHEMBL9997710 0.88 TSHR (0.42) HDAC4MEF2DPTGS2SMN1; SMN2KDM4E
SCHEMBL9997436 0.87 HDAC4 (0.41) HDAC4MEF2DPTGS2SMN1; SMN2KDM4E
SCHEMBL9997438 0.87 HDAC4 (0.41) HDAC4MEF2DPTGS2SMN1; SMN2KDM4E
SCHEMBL9997486 0.87 HDAC4 (0.44) HDAC4MEF2DCYP4F2CYP4A11

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.