SCHEMBL21735566

SCHEMBL21735566

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 7/20 0.42
S1PR1 P21453 6/20 0.39
S1PR3 Q99500 2/20 0.39
ACHE P22303 2/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
THRA P10827 5/20 0.32
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL25848254 0.91 THRB (0.41) THRBS1PR1S1PR3MAOAMAOB
SCHEMBL21735368 0.90 THRB (0.40) THRBS1PR1S1PR3ACHEPTGES
SCHEMBL25848257 0.85 THRB (0.41) THRBS1PR1S1PR3MAOAMAOB
SCHEMBL25848267 0.83 THRB (0.39) THRBS1PR1MAOAMAOBMEN1
SCHEMBL21735055 0.83 THRB (0.39) THRBS1PR1S1PR3ACHEPTGES
SCHEMBL21735375 0.82 THRB (0.39) THRBS1PR1S1PR3ACHEPTGES
SCHEMBL21734942 0.81 S1PR1 (0.42) THRBS1PR1S1PR3PTGESALOX5
SCHEMBL22625307 0.81 THRB (0.39) THRBS1PR1S1PR3ACHEMAOA
SCHEMBL25848265 0.81 THRB (0.37) THRBS1PR1S1PR3MAOAMAOB
SCHEMBL26291449 0.81 THRB (0.48) THRBS1PR1S1PR3ACHEPTGES

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 THRB 3289/4885S1PR1 3951/4885S1PR3 2314/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 THRB 3289/4885S1PR1 3951/4885S1PR3 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.