SCHEMBL21735140

SCHEMBL21735140

C=C(C)C(=O)OCC(C)(COc1ccc2cc(-c3ccc(CCCCC)cc3OC)n(CCCCC)c2c1)CC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 7/20 0.34
S1PR1 P21453 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
PSEN1 P49768 3/20 0.31
PSEN2 P49810 3/20 0.31
APH1B Q8WW43 3/20 0.31
NCSTN Q92542 3/20 0.31
APH1A Q96BI3 3/20 0.31
PSENEN Q9NZ42 3/20 0.31
CCR9 P51686 1/20 0.31
CNR2 P34972 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
SCHEMBL21735487 0.90 PPARG (0.33) PLA2G4AS1PR1PPARGPPARAPSEN1
SCHEMBL21735137 0.89 PLA2G4A (0.31) PLA2G4A
SCHEMBL21735011 0.86 CNR2 (0.33) PLA2G4ACNR2
SCHEMBL21735161 0.85 S1PR1 (0.34) PLA2G4AS1PR1PPARGPPARAPSEN1
SCHEMBL21735019 0.84 PLA2G4A (0.35) PLA2G4A
SCHEMBL22628763 0.84 S1PR1 (0.33) PLA2G4AS1PR1PPARGPPARAPSEN1
SCHEMBL21735358 0.83 S1PR1 (0.42) S1PR1PPARGPPARA
SCHEMBL21735089 0.83 S1PR1 (0.31) S1PR1PPARGPPARACNR2
SCHEMBL21735139 0.83 THRB (0.38) PLA2G4AS1PR1PPARGPPARA
SCHEMBL21735293 0.83 PPARG (0.34) S1PR1PPARGPPARA

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 PLA2G4A 995/4885S1PR1 3951/4885PPARG 749/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 PLA2G4A 995/4885S1PR1 3951/4885PPARG 749/4885

“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.