SCHEMBL21735853

SCHEMBL21735853

C=C(C)C(=O)OCCCC(F)(F)CCCOc1ccc2cc(-c3ccccc3)n(CC)c2c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41
ACSS2 Q9NR19 4/20 0.37
MCL1 Q07820 3/20 0.35
NR1H2 P55055 1/20 0.35
NTRK1 P04629 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
BACE1 P56817 1/20 0.34
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
GAA P10253 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
SCHEMBL21735175 0.91 POLB (0.37) MTNR1AMTNR1BPOLBAPEX1HTT
SCHEMBL21735177 0.91 POLB (0.39) MTNR1AMTNR1BPOLBAPEX1HTT
SCHEMBL21735569 0.87 POLB (0.40) MTNR1AMTNR1BPOLBAPEX1HTT
SCHEMBL22245884 0.86 MTNR1A (0.42) MTNR1AMTNR1BPOLBAPEX1HTT
SCHEMBL21735546 0.85 ACSS2 (0.47) MTNR1AMTNR1BGRIK1GRIK2ACSS2
SCHEMBL22630104 0.84 GRIK2 (0.50) MTNR1AMTNR1BTDP1GRIK1GRIK2
SCHEMBL21735164 0.82 POLB (0.35) POLBAPEX1HTTTDP1ACSS2
SCHEMBL21735703 0.82 MTNR1A (0.46) MTNR1AMTNR1BMCL1L3MBTL1BACE1
SCHEMBL21735823 0.81 MTNR1A (0.43) MTNR1AMTNR1BGRIK1GRIK2ACSS2
SCHEMBL21735513 0.81 NR1H2 (0.45) POLBAPEX1HTTTDP1MCL1

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 MTNR1A 3327/4885MTNR1B 2622/4885POLB 3540/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 MTNR1A 3327/4885MTNR1B 2622/4885POLB 3540/4885

“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.