SCHEMBL9997393

SCHEMBL9997393

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
GLO1 Q04760 1/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 3/20 0.37
GAA P10253 3/20 0.37
KDM4E B2RXH2 3/20 0.37
RAB9A P51151 2/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
PKM P14618 1/20 0.36
MAOA P21397 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
SCHEMBL9997395 1.00 LMNA (0.41) LMNAGLO1KMT2AMEN1MAPT
SCHEMBL9997828 0.89 LMNA (0.39) LMNAGLO1KMT2AMEN1MAPT
SCHEMBL9997826 0.89 LMNA (0.39) LMNAGLO1KMT2AMEN1MAPT
SCHEMBL9998190 0.84 HDAC4 (0.40) GLO1KMT2AMEN1MAPTPDCD1
SCHEMBL9997505 0.84 PTGS2 (0.44) KMT2AMEN1MAPTSMN1; SMN2KDM4E
SCHEMBL9998367 0.84 MAPT (0.51) GLO1KMT2AMEN1MAPTTP53
SCHEMBL9997669 0.84 PKM (0.45) LMNAKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL9998274 0.84 PKM (0.45) LMNAKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL9998187 0.84 HDAC4 (0.40) GLO1KMT2AMEN1MAPTPDCD1
SCHEMBL9997501 0.84 PTGS2 (0.44) KMT2AMEN1MAPTSMN1; 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 LMNA 3752/4885GLO1 230/4885KMT2A 2324/4885

“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.