SCHEMBL21735161

SCHEMBL21735161

C=C(C)C(=O)OCCCC(F)(F)CCCOc1ccc2cc(-c3ccc(CCCCC)cc3OC)n(CCCCC)c2c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
MCL1 Q07820 2/20 0.34
PLA2G4A P47712 5/20 0.33
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TRIM33 Q9UPN9 1/20 0.31
TSHR P16473 2/20 0.31

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
SCHEMBL22628763 0.91 S1PR1 (0.33) S1PR1PPARGPPARAMCL1PLA2G4A
SCHEMBL21735014 0.91 PSEN1 (0.34) MCL1PLA2G4APSEN1PSEN2APH1B
SCHEMBL21735160 0.88 POLB (0.32) PLA2G4APOLBAPEX1HTTTDP1
SCHEMBL21735487 0.86 PPARG (0.33) S1PR1PPARGPPARAMCL1PLA2G4A
SCHEMBL21735822 0.86 S1PR1 (0.33) S1PR1PPARGPPARAMCL1PLA2G4A
SCHEMBL21735140 0.85 PLA2G4A (0.34) S1PR1PPARGPPARAPLA2G4APSEN1
SCHEMBL21735500 0.84 PLA2G4A (0.32) MCL1PLA2G4APSEN1PSEN2APH1B
SCHEMBL21735172 0.82 THRB (0.40) S1PR1PPARGPPARAPLA2G4ATSHR
SCHEMBL21735297 0.81 PPARG (0.35) S1PR1PPARGPPARAPLA2G4APOLB
SCHEMBL21735243 0.81 S1PR1 (0.46) S1PR1PPARGPPARAPOLBAPEX1

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.