SCHEMBL21735006

SCHEMBL21735006

CCc1ccccc1-c1cc2ccc(OCCC(F)(F)OC(F)(F)OC(F)(F)CCOC(=O)C(C)(C)C)cc2s1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.34
PPARA Q07869 6/20 0.32
PDK2 Q15119 7/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
CA1 P00915 1/20 0.31
PPARD Q03181 3/20 0.31
CACNA1H O95180 1/20 0.31
CACNA1B Q00975 1/20 0.31
PPARG P37231 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
SCHEMBL22628732 0.89 POLB (0.33) CA2PDK2ESR1ESR2
SCHEMBL21735326 0.78 FGFR1 (0.33) ESR1ESR2
SCHEMBL21735473 0.77 THRB (0.37) PPARAPDK2ESR1ESR2PPARD
SCHEMBL21735526 0.77 POLB (0.38) CA2PDK2ESR1ESR2
SCHEMBL21735522 0.77 PDK2 (0.40) PDK2ESR1ESR2
SCHEMBL22628791 0.77
SCHEMBL21735000 0.76 NR1H4 (0.38) CA2PPARAESR1ESR2CACNA1H
SCHEMBL22628825 0.76 PDK2 (0.34) PDK2ESR1ESR2CACNA1BPPARG
SCHEMBL21735456 0.75 THRB (0.37) PPARAPDK2ESR1ESR2
SCHEMBL21734995 0.74 THRB (0.41) CA2PPARAESR1ESR2

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 2 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
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 CA2 3899/4885PPARA 581/4885PDK2 3949/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 CA2 3899/4885PPARA 581/4885PDK2 3949/4885

“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.