SCHEMBL21735284

SCHEMBL21735284

C=CC(=O)OCC(COc1ccc2cc(-c3ccc(CCCCC)cc3OC)oc2c1)CC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.43
THRB P10828 2/20 0.39
PTPN1 P18031 3/20 0.38
S1PR3 Q99500 2/20 0.38
ALOX5 P09917 2/20 0.37
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
PTGES O14684 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
LTA4H P09960 1/20 0.32
SRD5A1 P18405 1/20 0.32
SRD5A2 P31213 1/20 0.32

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
SCHEMBL21735743 0.94 THRB (0.38) S1PR1THRBPTPN1S1PR3ALOX5
SCHEMBL22625058 0.91 KDM4E (0.38) S1PR1THRBMAOAMAOB
SCHEMBL21735729 0.91 THRB (0.40) S1PR1THRBS1PR3ALOX5PTGES
SCHEMBL21735728 0.91 THRB (0.39) S1PR1THRBS1PR3ALOX5PPARA
SCHEMBL21735036 0.90 S1PR1 (0.43) S1PR1THRBPTPN1S1PR3ALOX5
SCHEMBL21735273 0.90 S1PR1 (0.43) S1PR1PTPN1S1PR3ALOX5PPARG
SCHEMBL21735274 0.87 ALOX5 (0.36) S1PR1THRBPTPN1ALOX5PPARG
SCHEMBL21735371 0.85 S1PR1 (0.42) S1PR1THRBPTPN1S1PR3ALOX5
SCHEMBL21735093 0.85 S1PR1 (0.43) S1PR1THRBPTPN1S1PR3ALOX5
SCHEMBL21735245 0.84 S1PR1 (0.46) S1PR1THRBPTPN1S1PR3ALOX5

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 3951/4885THRB 3289/4885PTPN1 4838/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 S1PR1 3951/4885THRB 3289/4885PTPN1 4838/4885

“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.