SCHEMBL21735822

SCHEMBL21735822

C=C(C)C(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccc(CCCCC)cc3OC)n(CC)c2c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
TRIM33 Q9UPN9 1/20 0.31
PLA2G4A P47712 3/20 0.30
MCL1 Q07820 1/20 0.30

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
SCHEMBL21735073 0.91 PLA2G4A (0.31) PLA2G4A
SCHEMBL21735500 0.89 PLA2G4A (0.32) PLA2G4AMCL1
SCHEMBL22628763 0.87 S1PR1 (0.33) S1PR1PPARGPPARATRIM33PLA2G4A
SCHEMBL21735161 0.86 S1PR1 (0.34) S1PR1PPARGPPARATRIM33PLA2G4A
SCHEMBL21735160 0.84 POLB (0.32) PLA2G4A
SCHEMBL22628769 0.84 S1PR1 (0.32) S1PR1
SCHEMBL21735796 0.83 PPARG (0.34) S1PR1PPARGPPARAPLA2G4A
SCHEMBL21735491 0.83 THRB (0.38) S1PR1PPARGPPARAPLA2G4A
SCHEMBL21735388 0.83 S1PR1 (0.45) S1PR1PPARGPPARA
SCHEMBL21735497 0.83 S1PR1 (0.33) S1PR1PLA2G4A

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-11014901-B2 Hydrophobic compounds for optically active devices MERCK PATENT GMBH (DE) 2021-05-25 US disclosed
EP-3583091-B1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-11-04 EP disclosed
US-20200055833-A1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-02-20 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 (2 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-20200055833-A1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES UACA, CRYZ, TRPA1 S1PR1 3951/4885PPARG 749/4885PPARA 581/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 S1PR1 3951/4885PPARG 749/4885PPARA 581/4885

“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.