SCHEMBL9997828

SCHEMBL9997828

CCCC(=Cc1cccc(C)c1)COC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
GLO1 Q04760 1/20 0.38
KMT2A Q03164 5/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 3/20 0.37
MAPT P10636 4/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ELANE P08246 1/20 0.36
NPC1 O15118 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35

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
SCHEMBL9997826 1.00 LMNA (0.39) LMNAGLO1KMT2APKMMEN1
SCHEMBL9997395 0.89 LMNA (0.41) LMNAGLO1KMT2APKMMEN1
SCHEMBL9997393 0.89 LMNA (0.41) LMNAGLO1KMT2APKMMEN1
SCHEMBL9997611 0.85 MAPT (0.49) LMNAGLO1KMT2AMEN1MAPT
SCHEMBL9998143 0.85 HDAC4 (0.39) GLO1KMT2AMEN1MAPTPDCD1
SCHEMBL9997613 0.85 MAPT (0.49) LMNAGLO1KMT2AMEN1MAPT
SCHEMBL9998145 0.85 HDAC4 (0.39) GLO1KMT2AMEN1MAPTPDCD1
SCHEMBL9998171 0.85 PKM (0.43) LMNAKMT2APKMMEN1MAPT
SCHEMBL9997861 0.85 PTGS2 (0.42) KMT2APKMMEN1MAPTSMN1; SMN2
SCHEMBL9998170 0.85 PKM (0.43) LMNAKMT2APKMMEN1MAPT

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.