SCHEMBL21735110

SCHEMBL21735110

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.36
ALOX5 P09917 1/20 0.36
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
MAPT P10636 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PTPN1 P18031 1/20 0.32
LTA4H P09960 1/20 0.30
FPR1 P21462 1/20 0.30
CYP2C8 P10632 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
SCHEMBL21735113 0.94 S1PR1 (0.30) S1PR1
SCHEMBL21735108 0.91 S1PR1 (0.30) S1PR1
SCHEMBL21735105 0.91 S1PR1 (0.36) S1PR1ALOX5PPARGPPARAMAPT
SCHEMBL21735384 0.91 S1PR1 (0.37) S1PR1ALOX5PPARGPPARAMAPT
SCHEMBL21735109 0.91 S1PR1 (0.33) S1PR1
SCHEMBL21735734 0.89 S1PR1 (0.37) S1PR1ALOX5PPARGPPARAMAPT
SCHEMBL21735388 0.89 S1PR1 (0.45) S1PR1ALOX5PPARGPPARAPTPN1
SCHEMBL21735122 0.88 ALOX5 (0.36) S1PR1ALOX5PPARGPPARAMAPT
SCHEMBL21735573 0.88 S1PR1 (0.34) S1PR1ALOX5PPARGPPARAMAPT
SCHEMBL22630082 0.87 S1PR1 (0.34) S1PR1ALOX5PPARGPPARAMAPT

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 S1PR1 3951/4885ALOX5 167/4885PPARG 749/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 S1PR1 3951/4885ALOX5 167/4885PPARG 749/4885

“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.