SCHEMBL9997336

SCHEMBL9997336

CCCCC/C=C(\CC)C(OC(C)=O)OC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.43
LMNA P02545 2/20 0.38
PRKCA P17252 3/20 0.38
ALDH1A1 P00352 2/20 0.36
FAAH O00519 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
TSHR P16473 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
SCHEMBL9997337 1.00 EP300 (0.43) EP300LMNAPRKCAALDH1A1FAAH
SCHEMBL9997899 0.98 EP300 (0.46) EP300LMNAPRKCAFAAHMAPT
SCHEMBL9998625 0.98 EP300 (0.46) EP300LMNAPRKCAFAAHMAPT
SCHEMBL9998622 0.98 EP300 (0.46) EP300LMNAPRKCAFAAHMAPT
SCHEMBL9997901 0.98 EP300 (0.46) EP300LMNAPRKCAFAAHMAPT
SCHEMBL9998217 0.95 TSHR (0.37) EP300LMNAPRKCAALDH1A1FAAH
SCHEMBL9998215 0.95 TSHR (0.37) EP300LMNAPRKCAALDH1A1FAAH
SCHEMBL9997620 0.88 EP300 (0.42) EP300LMNAPRKCAALDH1A1FAAH
SCHEMBL9997623 0.88 EP300 (0.42) EP300LMNAPRKCAALDH1A1FAAH
SCHEMBL9997227 0.87 TSHR (0.39) LMNAALDH1A1MAPTTSHR

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 EP300 4062/4885LMNA 3752/4885PRKCA 4792/4885

“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.