SCHEMBL9998220

SCHEMBL9998220

CC(=O)OCC(C)=Cc1cccc(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
CACNA1B Q00975 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
GLO1 Q04760 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
KMT2A Q03164 3/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 2/20 0.38
ALOX5 P09917 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL9998218 1.00 LMNA (0.44) LMNACACNA1BTDP1TP53SMN1; SMN2
SCHEMBL9997393 0.84 LMNA (0.41) LMNATDP1TP53SMN1; SMN2NPC1
SCHEMBL9997395 0.84 LMNA (0.41) LMNATDP1TP53SMN1; SMN2NPC1
SCHEMBL9997664 0.84 LMNA (0.44) LMNATDP1TP53SMN1; SMN2NPC1
SCHEMBL9997815 0.83 CACNA1B (0.50) CACNA1BTDP1SMN1; SMN2MAOBKMT2A
SCHEMBL9997812 0.83 CACNA1B (0.50) CACNA1BTDP1SMN1; SMN2MAOBKMT2A
SCHEMBL9998153 0.83 PKM (0.48) LMNAKMT2APKMMEN1KDM4E
SCHEMBL9997526 0.83 MAPT (0.51) TDP1TP53SMN1; SMN2GLO1KMT2A
SCHEMBL9997519 0.83 MAPT (0.51) TDP1TP53SMN1; SMN2GLO1KMT2A
SCHEMBL9998151 0.83 PKM (0.48) LMNAKMT2APKMMEN1KDM4E

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 3752/4885CACNA1B 1372/4885TDP1 1635/4885

“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.