SCHEMBL21735829

SCHEMBL21735829

CCCCCn1c(-c2ccc(OCC(F)(F)C(F)(F)C(F)(F)COC(=O)C(C)(C)CCC(C)C)cc2)cc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.38
PSEN1 P49768 7/20 0.37
PSEN2 P49810 7/20 0.37
APH1B Q8WW43 7/20 0.37
NCSTN Q92542 7/20 0.37
APH1A Q96BI3 7/20 0.37
PSENEN Q9NZ42 7/20 0.37
NR1H2 P55055 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMPD1 P17405 1/20 0.34
PLA2G4A P47712 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL21735508 0.82 MTNR1A (0.38) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL22630110 0.73 MTNR1A (0.44) CNR2MTNR1AMTNR1BALDH1A1
SCHEMBL21735854 0.72 MTNR1A (0.42) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL21735345 0.71 THRB (0.39) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL21735544 0.70 MTNR1A (0.41) CNR2MTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL26291799 0.69 ALDH1A1 (0.43) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL23893484 0.69 ALDH1A1 (0.43) CNR2NR1H2MTNR1AMTNR1BALDH1A1
SCHEMBL21735507 0.69 NR1H2 (0.41) NR1H2ALDH1A1KDM4E
SCHEMBL21735568 0.69 MTNR1A (0.42) CNR2NR1H2MTNR1AMTNR1BALDH1A1
SCHEMBL26291794 0.68 ALDH1A1 (0.42) CNR2NR1H2MTNR1AMTNR1BALDH1A1

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 CNR2 1870/4885PSEN1 1388/4885PSEN2 1613/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 CNR2 1870/4885PSEN1 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.