SCHEMBL21735776

SCHEMBL21735776

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

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.32
PLA2G4A P47712 1/20 0.31
THRB P10828 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
SCHEMBL21735770 0.92 PLA2G4A (0.31) PLA2G4ATHRB
SCHEMBL21734981 0.91 PCSK9 (0.32) PLA2G4A
SCHEMBL21734982 0.91 PPARG (0.34) S1PR1PLA2G4A
SCHEMBL21735427 0.90 S1PR1 (0.33) S1PR1PLA2G4ATHRB
SCHEMBL22629930 0.90 S1PR1 (0.32) S1PR1
SCHEMBL21735775 0.90 THRB (0.39) S1PR1THRB
SCHEMBL26291724 0.88 S1PR1 (0.35) S1PR1PLA2G4ATHRB
SCHEMBL21735291 0.84 S1PR1 (0.33) S1PR1THRB
SCHEMBL21735449 0.84 S1PR1 (0.37) S1PR1PLA2G4ATHRB
SCHEMBL22628978 0.84 S1PR1 (0.33) S1PR1PLA2G4ATHRB

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 3951/4885PLA2G4A 995/4885THRB 3289/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 S1PR1 3951/4885PLA2G4A 995/4885THRB 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.