SCHEMBL9997707

SCHEMBL9997707

CCCCC=C(COC(C)=O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
FAAH O00519 3/20 0.41
PTPN1 P18031 2/20 0.38
ALOX15 P16050 2/20 0.38
GRIK1 P39086 1/20 0.36
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
EP300 Q09472 1/20 0.35
PRKCA P17252 1/20 0.35
ATM Q13315 1/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
CA1 P00915 1/20 0.32

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
SCHEMBL9997807 0.95 FAAH (0.44) ALDH1A1FAAHPTPN1ALOX15EP300
SCHEMBL9998467 0.93 FAAH (0.46) ALDH1A1FAAHPTPN1EP300PRKCA
SCHEMBL9998322 0.93 FAAH (0.46) ALDH1A1FAAHPTPN1EP300PRKCA
SCHEMBL9998058 0.89 ALOX15 (0.40) ALDH1A1FAAHPTPN1ALOX15GRIK1
SCHEMBL9998000 0.81 ALDH1A1 (0.41) ALDH1A1FAAHPTPN1ALOX15LMNA
SCHEMBL9997875 0.79 FAAH (0.49) ALDH1A1FAAHPTPN1ALOX15GRIK1
SCHEMBL9997877 0.79 FAAH (0.49) ALDH1A1FAAHPTPN1ALOX15GRIK1
SCHEMBL9998136 0.76 ALDH1A1 (0.45) ALDH1A1FAAHPTPN1ALOX15GRIK1
SCHEMBL9998134 0.76 ALDH1A1 (0.45) ALDH1A1FAAHPTPN1ALOX15GRIK1
SCHEMBL3504689 0.76 ALOX15 (0.37) ALDH1A1FAAHPTPN1ALOX15GRIK1

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 ALDH1A1 160/4885FAAH 1033/4885PTPN1 3526/4885

“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.