SCHEMBL21735795

SCHEMBL21735795

C=C(C)C(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3ccc(CCCCC)cc3OC(F)(F)F)sc2c1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.32
PPARD Q03181 2/20 0.31
PPARA Q07869 1/20 0.31
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
PLA2G4A P47712 1/20 0.30
S1PR1 P21453 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
SCHEMBL21735796 0.93 PPARG (0.34) PPARAPOLBAPEX1HTTTDP1
SCHEMBL21735789 0.92 PCSK9 (0.32) PCSK9PPARDPPARAPOLBAPEX1
SCHEMBL21735681 0.91 POLB (0.33) PCSK9PPARDPPARAPOLBAPEX1
SCHEMBL21735794 0.91 S1PR1 (0.36) PPARAPOLBAPEX1HTTTDP1
SCHEMBL21735102 0.91 THRB (0.38) PCSK9PPARDPPARA
SCHEMBL21735477 0.91 PCSK9 (0.34) PCSK9S1PR1
SCHEMBL21734997 0.90 POLB (0.32) PPARAPOLBAPEX1HTTTDP1
SCHEMBL22628834 0.90 CA1 (0.33) PCSK9PPARDPPARAPLA2G4A
SCHEMBL26291717 0.89 PCSK9 (0.34) PCSK9PPARAPLA2G4AS1PR1
SCHEMBL22630093 0.88 THRB (0.35) PCSK9PPARDPPARA

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 PCSK9 3356/4885PPARD 336/4885PPARA 581/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 PCSK9 3356/4885PPARD 336/4885PPARA 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.