SCHEMBL9998290

SCHEMBL9998290

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 3/20 0.35
MAPT P10636 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MMP1 P03956 2/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
GLO1 Q04760 1/20 0.35
PKM P14618 1/20 0.35
POLB P06746 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
SCHEMBL9998288 1.00 LMNA (0.39) LMNASMN1; SMN2TP53TDP1KMT2A
SCHEMBL9997905 0.89 LMNA (0.41) LMNASMN1; SMN2TP53TDP1KMT2A
SCHEMBL9997881 0.89 LMNA (0.41) LMNASMN1; SMN2TP53TDP1KMT2A
SCHEMBL9997909 0.86 HDAC4 (0.39) SMN1; SMN2TDP1MAPTKDM4EALDH1A1
SCHEMBL9997907 0.86 HDAC4 (0.39) SMN1; SMN2TDP1MAPTKDM4EALDH1A1
SCHEMBL9998027 0.85 CYP1A2 (0.40) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL9997776 0.85 MAPT (0.46) LMNATP53KMT2AMAPTMEN1
SCHEMBL9997570 0.85 SLC6A19 (0.45) LMNAKMT2AMAPTMEN1ALDH1A1
SCHEMBL9997774 0.85 MAPT (0.46) LMNATP53KMT2AMAPTMEN1
SCHEMBL9997456 0.85 PPARG (0.35) LMNASMN1; SMN2TP53TDP1MAPT

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 3752/4885SMN1; SMN2 3151/4885TP53 4307/4885

“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.