SCHEMBL21735293

SCHEMBL21735293

C=C(C)C(=O)OCC(C)(COc1ccc2cc(-c3ccc(CCCCC)cc3OC)sc2c1)CC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
S1PR1 P21453 2/20 0.33
THRB P10828 1/20 0.30
S1PR4 O95977 1/20 0.30
S1PR5 Q9H228 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
SCHEMBL21735301 0.93 PCSK9 (0.32)
SCHEMBL21735784 0.91 THRB (0.31) PPARGPPARAS1PR1THRBS1PR4
SCHEMBL21735292 0.91 THRB (0.39) PPARGPPARAS1PR1THRB
SCHEMBL22629920 0.90 PPARA (0.35) PPARGPPARAS1PR1S1PR4S1PR5
SCHEMBL21735291 0.90 S1PR1 (0.33) PPARAS1PR1THRBS1PR4S1PR5
SCHEMBL22628974 0.90 PPARA (0.35) PPARGPPARAS1PR1THRB
SCHEMBL21735010 0.87 PPARG (0.35) PPARGPPARAS1PR1THRBS1PR4
SCHEMBL26291708 0.86 PPARG (0.39) PPARGPPARAS1PR1THRB
SCHEMBL21735358 0.86 S1PR1 (0.42) PPARGPPARAS1PR1
SCHEMBL21735764 0.85 PPARG (0.35) PPARGPPARAS1PR1THRB

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 PPARG 749/4885PPARA 581/4885S1PR1 3951/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 PPARG 749/4885PPARA 581/4885S1PR1 3951/4885

“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.