SCHEMBL21735360

SCHEMBL21735360

C=CC(=O)OCC(C)(CSc1ccc2cc(-c3ccc(CCCCC)cc3OC)oc2c1)CC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.37
S1PR1 P21453 1/20 0.35
THRB P10828 1/20 0.35
MAPT P10636 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
PTPN1 P18031 1/20 0.33
GPR55 Q9Y2T6 1/20 0.32
NAMPT P43490 1/20 0.32
LTA4H P09960 2/20 0.31
FPR1 P21462 1/20 0.31
CNR2 P34972 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
SCHEMBL21735331 0.94 THRB (0.35) THRB
SCHEMBL21735333 0.91 THRB (0.35) THRB
SCHEMBL21735044 0.91 ALOX5 (0.37) ALOX5S1PR1THRBMAPTRXFP1
SCHEMBL21735351 0.90 ALOX5 (0.37) ALOX5S1PR1MAPTRXFP1PPARG
SCHEMBL22628922 0.90 ALOX5 (0.38) ALOX5S1PR1MAPTRXFP1PPARG
SCHEMBL21735748 0.89 ALOX5 (0.37) ALOX5S1PR1THRBMAPTRXFP1
SCHEMBL21735120 0.87 ALOX5 (0.36) ALOX5S1PR1THRBMAPTRXFP1
SCHEMBL21735371 0.87 S1PR1 (0.42) ALOX5S1PR1THRBPPARGPPARA
SCHEMBL22625024 0.85 THRB (0.34) THRB
SCHEMBL22630026 0.85 ALOX5 (0.37) ALOX5S1PR1THRBMAPTRXFP1

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 ALOX5 167/4885S1PR1 3951/4885THRB 3289/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 ALOX5 167/4885S1PR1 3951/4885THRB 3289/4885

“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.