SCHEMBL21735447

SCHEMBL21735447

C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)COc1ccc2cc(-c3ccc(CCCCC)cc3)sc2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.47
THRA P10827 6/20 0.35
S1PR4 O95977 3/20 0.34
S1PR1 P21453 3/20 0.34
S1PR3 Q99500 3/20 0.34
S1PR5 Q9H228 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
SMPD1 P17405 1/20 0.33
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
FAAH O00519 1/20 0.32
PLA2G4A P47712 1/20 0.32
RARB P10826 2/20 0.32
RARA P10276 1/20 0.32
RARG P13631 1/20 0.32

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
SCHEMBL21735454 0.91 ESR1 (0.36) THRBMEN1KMT2AESR1ESR2
SCHEMBL21735459 0.89 THRB (0.42) THRBTHRAS1PR1S1PR3MEN1
SCHEMBL21735452 0.88 THRB (0.41) THRBTHRAS1PR1S1PR3MEN1
SCHEMBL21735451 0.87 THRB (0.41) THRBTHRAS1PR1S1PR3PPARG
SCHEMBL21735453 0.87 THRB (0.40) THRBTHRAS1PR1S1PR3
SCHEMBL26291728 0.86 THRB (0.54) THRBTHRAMEN1KMT2ASMPD1
SCHEMBL22628893 0.85 THRB (0.47) THRBTHRAS1PR4S1PR1S1PR3
SCHEMBL21735450 0.85 ESR1 (0.39) THRBESR1ESR2
SCHEMBL21735460 0.79 HDAC1 (0.38)
SCHEMBL21735761 0.79 ESR1 (0.36) THRBMEN1KMT2AESR1ESR2

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 THRB 3289/4885THRA 3504/4885S1PR4 3683/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 THRB 3289/4885THRA 3504/4885S1PR4 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.