SCHEMBL21735017

SCHEMBL21735017

C=CC(=O)OCCCC(F)(F)CCCOc1ccc2cc(-c3ccc(CCCCC)cc3C(F)(F)F)n(CCCC(C)C)c2c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
MCL1 Q07820 1/20 0.31
PLA2G4A P47712 3/20 0.31
CNR2 P34972 1/20 0.30
S1PR1 P21453 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
SCHEMBL21735484 0.87 THRB (0.36) THRBPLA2G4ACNR2
SCHEMBL21735343 0.84 THRB (0.37) THRBPLA2G4ACNR2
SCHEMBL22629957 0.84 THRB (0.37) THRB
SCHEMBL21735498 0.83 THRB (0.35) THRBMCL1S1PR1
SCHEMBL21735494 0.82 THRB (0.34) THRBCNR2
SCHEMBL21735167 0.81 MTNR1A (0.40) THRBPSEN1PSEN2APH1BNCSTN
SCHEMBL21735016 0.81 THRB (0.41) THRBPLA2G4ACNR2
SCHEMBL21735496 0.80 THRB (0.39) THRBPLA2G4AS1PR1
SCHEMBL21735346 0.80 THRB (0.37) THRBPSEN1PSEN2APH1BNCSTN
SCHEMBL21735172 0.80 THRB (0.40) THRBPLA2G4ACNR2S1PR1

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 3289/4885PSEN1 1388/4885PSEN2 1613/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 THRB 3289/4885PSEN1 1388/4885PSEN2 1613/4885

“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.