SCHEMBL18010085

SCHEMBL18010085

CC(C)=CCOC(=O)C=Cc1ccc(OCC=C(C)C)c(OCC=C(C)C)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.67
PTGES O14684 10/20 0.67
MTNR1A P48039 2/20 0.57
TRPA1 O75762 1/20 0.57
ALOX5 P09917 1/20 0.55
FDPS P14324 3/20 0.54
MAOB P27338 1/20 0.50
PDE4B Q07343 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50

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
SCHEMBL16692741 1.00 TTR (0.67) TTRPTGESMTNR1ATRPA1ALOX5
SCHEMBL16692678 0.94 PTGES (0.77) TTRPTGESMTNR1ATRPA1ALOX5
SCHEMBL18010087 0.94 PTGES (0.77) TTRPTGESMTNR1ATRPA1ALOX5
SCHEMBL18010096 0.94 PTGES (0.70) TTRPTGESMTNR1ATRPA1ALOX5
SCHEMBL16692689 0.94 PTGES (0.70) TTRPTGESMTNR1ATRPA1ALOX5
SCHEMBL18027752 0.87 TTR (0.62) TTRPTGESMTNR1ATRPA1ALOX5
SCHEMBL18027757 0.87 TTR (0.62) TTRPTGESMTNR1ATRPA1ALOX5
SCHEMBL9329895 0.84 TTR (0.76) TTRPTGESALOX5MAOBHDAC3
SCHEMBL9329892 0.84 TTR (0.76) TTRPTGESALOX5MAOBHDAC3
SCHEMBL18292840 0.82 PTGES (0.76) PTGESMTNR1ATRPA1ALOX5FDPS

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 TTR 316/4885PTGES 2717/4885MTNR1A 2825/4885

“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.