SCHEMBL21735800

SCHEMBL21735800

C=CC(=O)OCC(COc1ccc2cc(-c3ccccc3CC)n(CCCC(C)C)c2c1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
MCL1 Q07820 5/20 0.31
BCL2 P10415 3/20 0.31
PDK2 Q15119 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
SCHEMBL21735129 0.90 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21735402 0.83 THRB (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21735798 0.78 MTNR1A (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21735463 0.78 PSEN1 (0.31) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21735029 0.76 THRB (0.33) PDK2
SCHEMBL26291812 0.76 MTNR1A (0.45) MTNR1AMTNR1BMCL1BCL2
SCHEMBL21735167 0.76 MTNR1A (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21735421 0.76 PDK2 (0.32) PDK2
SCHEMBL21735208 0.76 RAB9A (0.34)
SCHEMBL21735419 0.75 MTNR1A (0.40) PSEN1PSEN2APH1BNCSTNAPH1A

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 PSEN1 1388/4885PSEN2 1613/4885APH1B 150/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 PSEN1 1388/4885PSEN2 1613/4885APH1B 150/4885

“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.