SCHEMBL18094635

SCHEMBL18094635

c1ccc(COC(OCc2ccccc2)(OCc2ccccc2)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
IDO1 P14902 1/20 0.46
AGXT P21549 1/20 0.44
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
PTPN1 P18031 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KIF11 P52732 1/20 0.39
LMNA P02545 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
HIF1A Q16665 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL1092597 0.81 KIF11 (0.54) TSHRIDO1AGXTCYP1A2CYP2C19
SCHEMBL7427682 0.79 TSHR (0.48) TSHRIDO1AGXTCYP1A2CYP2C19
Ammonia Solution, Strong SCHEMBL7560279 0.77 KIF11 (0.50) TSHRIDO1AGXTCYP1A2CYP2C19
SCHEMBL7448195 0.77 TSHR (0.46) TSHRIDO1AGXTCYP1A2CYP2C19
SCHEMBL8010482 0.77 CYP1A2 (0.43) IDO1CYP1A2CYP2C19CYP2C9ALDH1A1
SCHEMBL8656932 0.77 TSHR (0.46) TSHRIDO1AGXTCYP1A2CYP2C19
SCHEMBL584498 0.77 CYP2C19 (0.48) TSHRIDO1AGXTCYP1A2CYP2C19
SCHEMBL7723437 0.77 TSHR (0.46) TSHRIDO1AGXTCYP1A2CYP2C19
SCHEMBL9176021 0.77 MAPK1 (0.54) TSHRIDO1AGXTCYP1A2CYP2C19
SCHEMBL3955750 0.77 CYP2C19 (0.48) TSHRIDO1AGXTCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160280851-A1 IMINOETHER COMPOUND, POLYESTER RESIN COMPOSITION, METHOD FOR PRODUCING CARBOXYLIC ACID ESTER, POLYESTER FILM, BACK SHEET FOR SOLAR CELL MODULE, AND SOLAR CELL MODULE FUJIFILM CORPORATION (JP) 2016-09-29 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-20160280851-A1 IMINOETHER COMPOUND, POLYESTER RESIN COMPOSITION, METHOD FOR PRODUCING CARBOXYLIC ACID ESTER, POLYESTER FILM, BACK SHEET FOR SOLAR CELL MODULE, AND SOLAR CELL MODULE BRS3, RAD1, RAD51 TSHR 1410/4885IDO1 1838/4885AGXT 3264/4885

“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.