SCHEMBL21735744

SCHEMBL21735744

C=C(C)C(=O)OCCCC(F)(F)CCCSc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)oc2c1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.34
TSHR P16473 2/20 0.31
S1PR3 Q99500 1/20 0.31
AR P10275 1/20 0.30
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
SCHEMBL21735067 0.92 TSHR (0.32) S1PR1TSHRS1PR3ACHE
SCHEMBL21735734 0.91 S1PR1 (0.37) S1PR1TSHR
SCHEMBL22628736 0.90 S1PR1 (0.31) S1PR1TSHRS1PR3
SCHEMBL21735755 0.90 THRB (0.36) S1PR1TSHRS1PR3ARACHE
SCHEMBL22630047 0.89 S1PR1 (0.33) S1PR1S1PR3
SCHEMBL21735246 0.89 S1PR1 (0.41) S1PR1TSHRS1PR3ACHE
SCHEMBL26291433 0.89 S1PR1 (0.33) S1PR1S1PR3
SCHEMBL21735109 0.88 S1PR1 (0.33) S1PR1S1PR3
SCHEMBL26292434 0.87 TSHR (0.42) S1PR1TSHRS1PR3ACHE
SCHEMBL26291602 0.85 S1PR1 (0.33) 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 3951/4885TSHR 3882/4885S1PR3 2314/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 S1PR1 3951/4885TSHR 3882/4885S1PR3 2314/4885

“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.