SCHEMBL21735374

SCHEMBL21735374

C=C(C)C(=O)OC1CCC(Oc2ccc3cc(-c4ccc(CCCCC)cc4CC)oc3c2)C1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.37
S1PR3 Q99500 2/20 0.37
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
THRB P10828 1/20 0.31
ACHE P22303 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
SCHEMBL21735369 0.92 S1PR1 (0.37) S1PR1S1PR3PTGESALOX5THRB
SCHEMBL22624927 0.91 NPC1 (0.34) S1PR1S1PR3ACHE
SCHEMBL21734935 0.91 S1PR1 (0.42) S1PR1S1PR3PTGESALOX5
SCHEMBL21734937 0.91 S1PR1 (0.36) S1PR1S1PR3PTGESALOX5
SCHEMBL21735368 0.90 THRB (0.40) S1PR1S1PR3PTGESALOX5THRB
SCHEMBL21735505 0.87 S1PR1 (0.37) S1PR1S1PR3PTGESALOX5ACHE
SCHEMBL22630095 0.87 S1PR1 (0.36) S1PR1S1PR3PTGESALOX5ACHE
SCHEMBL21735355 0.86 NPC1 (0.33) S1PR1S1PR3
SCHEMBL21735052 0.85 S1PR1 (0.36) S1PR1S1PR3PTGESALOX5
SCHEMBL22625122 0.85 STS (0.34) S1PR1S1PR3

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 3951/4885S1PR3 2314/4885PTGES 1411/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 S1PR1 3951/4885S1PR3 2314/4885PTGES 1411/4885

“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.