SCHEMBL21735573

SCHEMBL21735573

C=CC(C(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCSc1ccc2cc(-c3ccc(CCCCC)cc3OC)oc2c1)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.34
ALOX5 P09917 1/20 0.33
LTA4H P09960 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
MAPT P10636 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL22630082 0.90 S1PR1 (0.34) S1PR1ALOX5PPARGPPARAMAPT
SCHEMBL21735105 0.90 S1PR1 (0.36) S1PR1ALOX5LTA4HPPARGPPARA
SCHEMBL21735110 0.88 S1PR1 (0.36) S1PR1ALOX5LTA4HPPARGPPARA
SCHEMBL22630044 0.84 THRB (0.33) S1PR1
SCHEMBL21735479 0.84 S1PR1 (0.37) S1PR1PPARA
SCHEMBL22630071 0.83 S1PR1 (0.33) S1PR1ALOX5
SCHEMBL21735113 0.82 S1PR1 (0.30) S1PR1
SCHEMBL21735107 0.82 THRB (0.35) S1PR1
SCHEMBL21735104 0.81 THRB (0.34) S1PR1
SCHEMBL21735383 0.80 S1PR1 (0.37) S1PR1ALOX5LTA4HPPARGPPARA

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 3951/4885ALOX5 167/4885LTA4H 12/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 S1PR1 3951/4885ALOX5 167/4885LTA4H 12/4885

“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.