SCHEMBL21735478

SCHEMBL21735478

C=C(C)C(=O)OCC(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)COc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)sc2c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.33
THRB P10828 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR5 Q9H228 1/20 0.31
ICAM1 P05362 1/20 0.31
SELE P16581 1/20 0.31
S1PR3 Q99500 1/20 0.31
PCSK9 Q8NBP7 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 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
SCHEMBL21735475 0.92 THRB (0.32) S1PR1THRBS1PR4S1PR5ICAM1
SCHEMBL21735474 0.91 THRB (0.39) S1PR1THRBS1PR4S1PR5ICAM1
SCHEMBL21735477 0.91 PCSK9 (0.34) S1PR1THRBS1PR4S1PR5ICAM1
SCHEMBL21735010 0.90 PPARG (0.35) S1PR1THRBS1PR4S1PR5ICAM1
SCHEMBL21735794 0.90 S1PR1 (0.36) S1PR1THRBS1PR4S1PR5ICAM1
SCHEMBL26291724 0.89 S1PR1 (0.35) S1PR1THRBICAM1SELES1PR3
SCHEMBL22628978 0.89 S1PR1 (0.33) S1PR1THRBS1PR3PPARGPPARA
SCHEMBL21735291 0.87 S1PR1 (0.33) S1PR1THRBS1PR4S1PR5S1PR3
SCHEMBL26291720 0.85 S1PR1 (0.36) S1PR1THRBS1PR3PCSK9
SCHEMBL21735427 0.85 S1PR1 (0.33) S1PR1THRBPPARGPPARA

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 3289/4885S1PR4 3683/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 S1PR1 3951/4885THRB 3289/4885S1PR4 3683/4885

“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.