SCHEMBL21735172

SCHEMBL21735172

C=CC(=O)OCCCC(F)(F)CCCOc1ccc2cc(-c3ccc(CCCCC)cc3OC)n(C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.40
S1PR1 P21453 2/20 0.35
PPARA Q07869 2/20 0.35
PPARG P37231 2/20 0.35
MET P08581 3/20 0.35
PLA2G4A P47712 2/20 0.34
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
LTA4H P09960 1/20 0.32
CNR2 P34972 1/20 0.31
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL21735016 0.91 THRB (0.41) THRBPPARAPPARGPLA2G4AHPGD
SCHEMBL21735491 0.90 THRB (0.38) THRBS1PR1PPARAPPARGMET
SCHEMBL21735485 0.86 THRB (0.39) THRBS1PR1PPARAPPARGPLA2G4A
SCHEMBL21735139 0.85 THRB (0.38) THRBS1PR1PPARAPPARGPLA2G4A
SCHEMBL22629957 0.83 THRB (0.37) THRBHPGDTSHR
SCHEMBL21735245 0.83 S1PR1 (0.46) THRBS1PR1PPARAPPARGMET
SCHEMBL21735316 0.83 THRB (0.41) THRBS1PR1PPARAPPARGMET
SCHEMBL21735161 0.82 S1PR1 (0.34) S1PR1PPARAPPARGPLA2G4ATSHR
SCHEMBL21735496 0.81 THRB (0.39) THRBS1PR1PPARGPLA2G4AHPGD
SCHEMBL22625198 0.81 MAOB (0.42) THRBS1PR1HPGD

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 THRB 3289/4885S1PR1 3951/4885PPARA 581/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 THRB 3289/4885S1PR1 3951/4885PPARA 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.