SCHEMBL21735291

SCHEMBL21735291

C=C(C)C(=O)OCC(C)(COc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)sc2c1)CC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.33
THRB P10828 1/20 0.31
S1PR4 O95977 1/20 0.30
S1PR5 Q9H228 1/20 0.30
S1PR3 Q99500 1/20 0.30
PPARA Q07869 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
SCHEMBL21735784 0.92 THRB (0.31) S1PR1THRBS1PR4S1PR5S1PR3
SCHEMBL21735301 0.91 PCSK9 (0.32)
SCHEMBL21735293 0.90 PPARG (0.34) S1PR1THRBS1PR4S1PR5PPARA
SCHEMBL21735781 0.90 THRB (0.39) S1PR1THRBS1PR4S1PR5
SCHEMBL22629903 0.90 S1PR1 (0.31) S1PR1S1PR4S1PR5S1PR3PPARA
SCHEMBL22628978 0.89 S1PR1 (0.33) S1PR1THRBS1PR3PPARA
SCHEMBL26291724 0.88 S1PR1 (0.35) S1PR1THRBS1PR3PPARA
SCHEMBL21735478 0.87 S1PR1 (0.33) S1PR1THRBS1PR4S1PR5S1PR3
SCHEMBL21735338 0.85 S1PR1 (0.37) S1PR1THRBS1PR3PPARA
SCHEMBL21735449 0.85 S1PR1 (0.37) S1PR1THRBS1PR4S1PR5S1PR3

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 S1PR1 3951/4885THRB 3289/4885S1PR4 3683/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 S1PR1 3951/4885THRB 3289/4885S1PR4 3683/4885

“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.