SCHEMBL21735010

SCHEMBL21735010

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
S1PR1 P21453 4/20 0.32
PCSK9 Q8NBP7 1/20 0.31
THRB P10828 1/20 0.31
S1PR4 O95977 1/20 0.30
S1PR5 Q9H228 1/20 0.30
ICAM1 P05362 1/20 0.30
SELE P16581 1/20 0.30
S1PR3 Q99500 1/20 0.30
LTA4H P09960 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C8 P10632 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2B6 P20813 1/20 0.30
CYP2C19 P33261 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
SCHEMBL21735477 0.93 PCSK9 (0.34) S1PR1PCSK9THRBS1PR4S1PR5
SCHEMBL21735001 0.91 THRB (0.39) PPARGPPARAS1PR1PCSK9THRB
SCHEMBL21735475 0.91 THRB (0.32) PPARGPPARAS1PR1PCSK9THRB
SCHEMBL21735796 0.90 PPARG (0.34) PPARGPPARAS1PR1THRBS1PR4
SCHEMBL21735478 0.90 S1PR1 (0.33) PPARGPPARAS1PR1PCSK9THRB
SCHEMBL22628974 0.89 PPARA (0.35) PPARGPPARAS1PR1PCSK9THRB
SCHEMBL21735293 0.87 PPARG (0.34) PPARGPPARAS1PR1THRBS1PR4
SCHEMBL26291708 0.87 PPARG (0.39) PPARGPPARAS1PR1THRBCYP1A2
SCHEMBL21735297 0.86 PPARG (0.35) PPARGPPARAS1PR1THRBS1PR4
SCHEMBL21735764 0.86 PPARG (0.35) PPARGPPARAS1PR1PCSK9THRB

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 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.