SCHEMBL9998227

SCHEMBL9998227

CCCCCCCCCCc1ccc(C=C(Cc2ccccc2)C(OC(C)=O)OC(C)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
CYSLTR2 Q9NS75 3/20 0.44
CYSLTR1 Q9Y271 3/20 0.44
PLA2G1B P04054 10/20 0.43
TRPA1 O75762 1/20 0.43
TRPM2 O94759 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ATG4B Q9Y4P1 11/20 0.41
THRA P10827 2/20 0.41
THRB P10828 2/20 0.41
CYP1A2 P05177 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL9997791 1.00 ALDH1A1 (0.48) ALDH1A1CYSLTR2CYSLTR1PLA2G1BTRPA1
SCHEMBL9997576 1.00 ALDH1A1 (0.48) ALDH1A1CYSLTR2CYSLTR1PLA2G1BTRPA1
SCHEMBL9997820 1.00 ALDH1A1 (0.48) ALDH1A1CYSLTR2CYSLTR1PLA2G1BTRPA1
SCHEMBL9997705 1.00 ALDH1A1 (0.48) ALDH1A1CYSLTR2CYSLTR1PLA2G1BTRPA1
SCHEMBL9997818 1.00 ALDH1A1 (0.48) ALDH1A1CYSLTR2CYSLTR1PLA2G1BTRPA1
SCHEMBL9997571 1.00 ALDH1A1 (0.48) ALDH1A1CYSLTR2CYSLTR1PLA2G1BTRPA1
SCHEMBL9997700 1.00 ALDH1A1 (0.48) ALDH1A1CYSLTR2CYSLTR1PLA2G1BTRPA1
SCHEMBL9998224 1.00 ALDH1A1 (0.48) ALDH1A1CYSLTR2CYSLTR1PLA2G1BTRPA1
SCHEMBL9997790 1.00 ALDH1A1 (0.48) ALDH1A1CYSLTR2CYSLTR1PLA2G1BTRPA1
SCHEMBL9997852 0.99 ALDH1A1 (0.49) ALDH1A1CYSLTR2CYSLTR1PLA2G1BTRPA1

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 160/4885CYSLTR2 1515/4885CYSLTR1 1464/4885

“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.