SCHEMBL21735472

SCHEMBL21735472

C=C(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOc1ccc2cc(-c3ccccc3)sc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
HDAC1 Q13547 4/20 0.34
HDAC2 Q92769 4/20 0.34
CA2 P00918 2/20 0.34
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GSTP1 P09211 1/20 0.32
HDAC6 Q9UBN7 3/20 0.32
CPT2 P23786 1/20 0.32
CPT1A P50416 1/20 0.32
CPT1B Q92523 1/20 0.32
HDAC3 O15379 2/20 0.32
HDAC4 P56524 2/20 0.32
HDAC7 Q8WUI4 2/20 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
SCHEMBL22628731 0.91 HDAC1 (0.37) NR1H4POLBAPEX1HTTTDP1
SCHEMBL22628862 0.90 ESR1 (0.36) NR1H4POLBAPEX1HTTTDP1
SCHEMBL21735000 0.90 NR1H4 (0.38) NR1H4POLBAPEX1HTTTDP1
SCHEMBL21735446 0.89 POLB (0.43) NR1H4POLBAPEX1HTTTDP1
SCHEMBL21735471 0.86 THRB (0.43) NR1H4ESR1ESR2HDAC1HDAC2
SCHEMBL21735604 0.84 ESR1 (0.44) NR1H4ESR1ESR2HDAC1HDAC2
SCHEMBL26291666 0.83 ESR1 (0.45) NR1H4POLBAPEX1HTTTDP1
SCHEMBL21735766 0.82 NR1H4 (0.40) NR1H4POLBAPEX1HTTTDP1
SCHEMBL21734960 0.81 NPC1 (0.42) POLBAPEX1HTTTDP1KDM4E
SCHEMBL21735420 0.81 NR1H4 (0.40) NR1H4POLBAPEX1HTTTDP1

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 NR1H4 898/4885POLB 3540/4885APEX1 649/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 NR1H4 898/4885POLB 3540/4885APEX1 649/4885

“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.