SCHEMBL18010096

SCHEMBL18010096

COc1ccc(C=CC(=O)OCC=C(C)C)cc1OCC=C(C)C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 10/20 0.70
ALOX5 P09917 1/20 0.64
TTR P02766 2/20 0.63
MTNR1A P48039 2/20 0.60
TRPA1 O75762 1/20 0.60
PDE4B Q07343 1/20 0.58
FDPS P14324 2/20 0.57
MAOB P27338 1/20 0.56
NFE2L2 Q16236 1/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53

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
SCHEMBL16692689 1.00 PTGES (0.70) PTGESALOX5TTRMTNR1ATRPA1
SCHEMBL16692678 0.95 PTGES (0.77) PTGESALOX5TTRMTNR1ATRPA1
SCHEMBL18010087 0.95 PTGES (0.77) PTGESALOX5TTRMTNR1ATRPA1
SCHEMBL16692741 0.94 TTR (0.67) PTGESALOX5TTRMTNR1ATRPA1
SCHEMBL18010085 0.94 TTR (0.67) PTGESALOX5TTRMTNR1ATRPA1
SCHEMBL9329895 0.89 TTR (0.76) PTGESALOX5TTRMAOBNFE2L2
SCHEMBL9329892 0.89 TTR (0.76) PTGESALOX5TTRMAOBNFE2L2
SCHEMBL18010182 0.85 ALOX5 (0.57) PTGESALOX5TTRMTNR1ATRPA1
SCHEMBL16692680 0.85 ALOX5 (0.57) PTGESALOX5TTRMTNR1ATRPA1
SCHEMBL18027752 0.84 TTR (0.62) PTGESALOX5TTRMTNR1ATRPA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682931-B2 Aryloyl(oxy or amino)pentafluorosulfanylbenzene compound, pharmaceutically acceptable salt thereof, and prodrugs thereof UBE INDUSTRIES, LTD. (JP) 2017-06-20 US disclosed
EP-3064489-A1 ARYLOYL(OXY OR AMINO)PENTAFLUOROSULFANYLBENZENE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PRODRUGS THEREOF Ube Industries, Ltd. (JP) 2016-09-07 EP disclosed
US-20160244407-A1 ARYLOYL(OXY OR AMINO)PENTAFLUOROSULFANYLBENZENE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PRODRUGS THEREOF UBE INDUSTRIES, LTD. (JP) 2016-08-25 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-20160244407-A1 ARYLOYL(OXY OR AMINO)PENTAFLUOROSULFANYLBENZENE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PRODRUGS THEREOF SLCO1B1, SLCO2B1, SLCO1B3 PTGES 2717/4885ALOX5 876/4885TTR 316/4885

“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.