SCHEMBL21735526

SCHEMBL21735526

C=C(C)C(=O)OCCCC(F)(F)CCCOc1ccc2cc(-c3ccccc3CC)sc2c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PDK2 Q15119 10/20 0.34
CA2 P00918 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
MTNR1A P48039 4/20 0.31
MTNR1B P49286 3/20 0.31

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
SCHEMBL22628732 0.89 POLB (0.33) POLBAPEX1HTTTDP1PDK2
SCHEMBL21735456 0.88 THRB (0.37) PDK2ESR1ESR2MTNR1AMTNR1B
SCHEMBL21735446 0.87 POLB (0.43) POLBAPEX1HTTTDP1CA2
SCHEMBL22245871 0.87 TDP1 (0.39) POLBAPEX1HTTTDP1CA2
SCHEMBL21735522 0.86 PDK2 (0.40) PDK2ESR1ESR2
SCHEMBL21735448 0.86 POLB (0.34) POLBAPEX1HTTTDP1MTNR1A
SCHEMBL22628825 0.85 PDK2 (0.34) TDP1PDK2ESR1ESR2
SCHEMBL21735457 0.85 POLB (0.39) POLBAPEX1HTTTDP1CA2
SCHEMBL21735290 0.85 POLB (0.36) POLBAPEX1HTTTDP1
SCHEMBL26291744 0.84 CA2 (0.36) POLBAPEX1HTTTDP1CA2

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.