SCHEMBL9997646

SCHEMBL9997646

CCCCCc1ccc(C=C(COC(C)=O)Cc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYSLTR2 Q9NS75 3/20 0.43
CYSLTR1 Q9Y271 3/20 0.43
PLA2G1B P04054 5/20 0.42
TRPA1 O75762 1/20 0.42
TRPM2 O94759 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
PLK1 P53350 1/20 0.41
ATG4B Q9Y4P1 4/20 0.40
THRB P10828 3/20 0.40
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
RARB P10826 1/20 0.40
THRA P10827 2/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
CYP1A2 P05177 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL9997645 1.00 ALDH1A1 (0.49) ALDH1A1HPGDHSD17B10CYSLTR2CYSLTR1
SCHEMBL9997688 0.99 ALDH1A1 (0.48) ALDH1A1HPGDHSD17B10CYSLTR2CYSLTR1
SCHEMBL9998297 0.99 ALDH1A1 (0.48) ALDH1A1HPGDHSD17B10CYSLTR2CYSLTR1
SCHEMBL9997994 0.99 ALDH1A1 (0.48) ALDH1A1HPGDHSD17B10CYSLTR2CYSLTR1
SCHEMBL9998296 0.99 ALDH1A1 (0.48) ALDH1A1HPGDHSD17B10CYSLTR2CYSLTR1
SCHEMBL9997690 0.99 ALDH1A1 (0.48) ALDH1A1HPGDHSD17B10CYSLTR2CYSLTR1
SCHEMBL9998611 0.99 ALDH1A1 (0.48) ALDH1A1HPGDHSD17B10CYSLTR2CYSLTR1
SCHEMBL9997996 0.99 ALDH1A1 (0.48) ALDH1A1HPGDHSD17B10CYSLTR2CYSLTR1
SCHEMBL9998614 0.99 ALDH1A1 (0.48) ALDH1A1HPGDHSD17B10CYSLTR2CYSLTR1
SCHEMBL9997193 0.99 ALDH1A1 (0.48) ALDH1A1HPGDHSD17B10CYSLTR2CYSLTR1

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 160/4885HPGD 1450/4885HSD17B10 317/4885

“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.