SCHEMBL21735446

SCHEMBL21735446

C=C(C)C(=O)OCCCC(F)(F)CCCOc1ccc2cc(-c3ccccc3)sc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NR1H4 Q96RI1 2/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
HDAC1 Q13547 6/20 0.36
HDAC2 Q92769 6/20 0.36
PPARA Q07869 2/20 0.34
CA2 P00918 1/20 0.34
MAPT P10636 1/20 0.34
HDAC3 O15379 3/20 0.34
HDAC4 P56524 3/20 0.34
HDAC7 Q8WUI4 3/20 0.34
HDAC10 Q969S8 3/20 0.34
HDAC11 Q96DB2 3/20 0.34
HDAC8 Q9BY41 3/20 0.34
HDAC6 Q9UBN7 3/20 0.34
HDAC9 Q9UKV0 3/20 0.34

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
SCHEMBL21735286 0.91 POLB (0.38) POLBAPEX1HTTTDP1NR1H4
SCHEMBL21735457 0.90 POLB (0.39) POLBAPEX1HTTTDP1NR1H4
SCHEMBL21735472 0.89 NR1H4 (0.38) POLBAPEX1HTTTDP1NR1H4
SCHEMBL21735000 0.88 NR1H4 (0.38) POLBAPEX1HTTTDP1NR1H4
SCHEMBL21735526 0.87 POLB (0.38) POLBAPEX1HTTTDP1ESR1
SCHEMBL21735444 0.86 THRB (0.43) POLBNR1H4ESR1ESR2HDAC1
SCHEMBL26291666 0.83 ESR1 (0.45) POLBAPEX1HTTTDP1NR1H4
SCHEMBL21735766 0.82 NR1H4 (0.40) POLBAPEX1HTTTDP1NR1H4
SCHEMBL21735324 0.81 NR1H4 (0.38) POLBAPEX1HTTTDP1NR1H4
SCHEMBL21735420 0.81 NR1H4 (0.40) POLBAPEX1HTTTDP1NR1H4

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.