SCHEMBL21735702

SCHEMBL21735702

C=CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOc1ccc2cc(-c3ccccc3)n(C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
KMT2A Q03164 1/20 0.36
NR1H2 P55055 1/20 0.36
PDE6D O43924 1/20 0.34
KDM4E B2RXH2 3/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC2 Q92769 3/20 0.33
MCL1 Q07820 4/20 0.33
ALDH1A1 P00352 3/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PPARA Q07869 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
SCHEMBL21735512 0.90 NR1H2 (0.44) THRBKMT2ANR1H2PDE6DKDM4E
SCHEMBL22628866 0.90 KCNA5 (0.34) THRBKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL21735691 0.88 THRB (0.41) THRBMTNR1AMTNR1BKMT2ANR1H2
SCHEMBL22628847 0.87 MTNR1A (0.42) THRBMTNR1AMTNR1BMCL1ALDH1A1
SCHEMBL23395595 0.86 THRB (0.46) THRBMTNR1AMTNR1BKMT2ANR1H2
SCHEMBL21735347 0.85 MTNR1A (0.38) THRBMTNR1AMTNR1BKMT2ANR1H2
SCHEMBL21735701 0.85 KMT2A (0.42) MTNR1AMTNR1BKMT2ANR1H2KDM4E
SCHEMBL22245786 0.83 THRB (0.44) THRBMTNR1AMTNR1BKMT2ANR1H2
SCHEMBL22628867 0.81 THRB (0.30) THRB
SCHEMBL20473145 0.81 THRB (0.42) THRBMTNR1AMTNR1BKMT2ANR1H2

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 3289/4885MTNR1A 3327/4885MTNR1B 2622/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 THRB 3289/4885MTNR1A 3327/4885MTNR1B 2622/4885

“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.