SCHEMBL18027752

SCHEMBL18027752

CC(C)=CCOC(=O)/C=C/c1ccc(OCC=C(C)C)c(CO)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.62
PTGES O14684 7/20 0.55
ALOX5 P09917 2/20 0.51
MTNR1A P48039 2/20 0.47
TRPA1 O75762 1/20 0.47
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
MEN1 O00255 1/20 0.45
NR1I2 O75469 1/20 0.45
LMNA P02545 1/20 0.45
PGR P06401 1/20 0.45
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
CNR1 P21554 1/20 0.45
TBXA2R P21731 1/20 0.45
SLC6A2 P23975 1/20 0.45
AGTR1 P30556 1/20 0.45

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
SCHEMBL18027757 0.90 TTR (0.62) TTRPTGESALOX5MTNR1ATRPA1
SCHEMBL16692741 0.87 TTR (0.67) TTRPTGESALOX5MTNR1ATRPA1
SCHEMBL18010085 0.87 TTR (0.67) TTRPTGESALOX5MTNR1ATRPA1
SCHEMBL18010087 0.84 PTGES (0.77) TTRPTGESALOX5MTNR1ATRPA1
SCHEMBL16692689 0.84 PTGES (0.70) TTRPTGESALOX5MTNR1ATRPA1
SCHEMBL16692678 0.84 PTGES (0.77) TTRPTGESALOX5MTNR1ATRPA1
SCHEMBL18010096 0.84 PTGES (0.70) TTRPTGESALOX5MTNR1ATRPA1
SCHEMBL18027768 0.84 TTR (0.55) TTRPTGESALOX5AKR1C3AKR1C2
SCHEMBL18027754 0.80 FDPS (0.55) TTRALOX5KMT2AFDPSMMP2
SCHEMBL18027764 0.79 FDPS (0.54) TTRALOX5AKR1C3KMT2AFDPS

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-9682931-B2 Aryloyl(oxy or amino)pentafluorosulfanylbenzene compound, pharmaceutically acceptable salt thereof, and prodrugs thereof UBE INDUSTRIES, LTD. (JP) 2017-06-20 US 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 2717/4885ALOX5 876/4885

“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.