SCHEMBL21735175

SCHEMBL21735175

C=C(C)C(=O)OCCCC(F)(F)CCCOc1ccc2cc(-c3ccc(CC)cc3)n(CC)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
NR1H2 P55055 1/20 0.33
MCL1 Q07820 2/20 0.32
MGAT2 Q10469 1/20 0.32
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
ACSS2 Q9NR19 2/20 0.31
RAB9A P51151 1/20 0.31
PTGES O14684 1/20 0.31
MAOB P27338 1/20 0.31
HRH2 P25021 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
SCHEMBL21735853 0.91 MTNR1A (0.42) POLBAPEX1HTTTDP1MTNR1A
SCHEMBL21735164 0.83 POLB (0.35) POLBAPEX1HTTTDP1MCL1
SCHEMBL21735177 0.82 POLB (0.39) POLBAPEX1HTTTDP1MTNR1A
SCHEMBL21735160 0.81 POLB (0.32) POLBAPEX1HTTTDP1TSHR
SCHEMBL21735457 0.79 POLB (0.39) POLBAPEX1HTTTDP1LMNA
SCHEMBL21735569 0.78 POLB (0.40) POLBAPEX1HTTTDP1MTNR1A
SCHEMBL22245884 0.78 MTNR1A (0.42) POLBAPEX1HTTTDP1MTNR1A
SCHEMBL21735513 0.78 NR1H2 (0.45) POLBAPEX1HTTTDP1NR1H2
SCHEMBL22628837 0.77 CASR (0.33) POLBAPEX1HTTTDP1NR1H2
SCHEMBL21735546 0.76 ACSS2 (0.47) MTNR1AMTNR1BNR1H2MCL1GRIK1

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 POLB 3540/4885APEX1 649/4885HTT 118/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 POLB 3540/4885APEX1 649/4885HTT 118/4885

“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.