SCHEMBL21735487

SCHEMBL21735487

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

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
PLA2G4A P47712 6/20 0.33
S1PR1 P21453 2/20 0.32
PSEN1 P49768 4/20 0.32
PSEN2 P49810 4/20 0.32
APH1B Q8WW43 4/20 0.32
NCSTN Q92542 4/20 0.32
APH1A Q96BI3 4/20 0.32
PSENEN Q9NZ42 4/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CNR2 P34972 3/20 0.31
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 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
SCHEMBL21735481 0.91 PLA2G4A (0.34) PLA2G4APSEN1PSEN2APH1BNCSTN
SCHEMBL21735140 0.90 PLA2G4A (0.34) PPARGPPARAPLA2G4AS1PR1PSEN1
SCHEMBL21735486 0.89 PLA2G4A (0.30) PLA2G4A
SCHEMBL21735161 0.86 S1PR1 (0.34) PPARGPPARAPLA2G4AS1PR1PSEN1
SCHEMBL22628763 0.85 S1PR1 (0.33) PPARGPPARAPLA2G4AS1PR1PSEN1
SCHEMBL21735089 0.84 S1PR1 (0.31) PPARGPPARAS1PR1CNR2
SCHEMBL21735482 0.83
SCHEMBL21735485 0.83 THRB (0.39) PPARGPPARAPLA2G4AS1PR1
SCHEMBL21735051 0.82 S1PR1 (0.43) PPARGPPARAS1PR1MEN1KMT2A
SCHEMBL22628974 0.82 PPARA (0.35) PPARGPPARAS1PR1LMNA

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 PPARG 749/4885PPARA 581/4885PLA2G4A 995/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 PPARG 749/4885PPARA 581/4885PLA2G4A 995/4885

“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.