SCHEMBL21735677

SCHEMBL21735677

C=CC(=O)OCC(COc1ccc2cc(-c3ccccc3)sc2c1)CC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.38
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
THRB P10828 1/20 0.34
GSTO1 P78417 2/20 0.33
CA2 P00918 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
XBP1 P17861 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
STS P08842 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
CASP1 P29466 1/20 0.31
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 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
SCHEMBL21734976 0.90 HDAC1 (0.36) NR1H4HDAC6NPC1GAAMAPT
SCHEMBL21735774 0.87 FGFR1 (0.31) ESR1ESR2CA2
SCHEMBL21735429 0.87 NR1H4 (0.39) NR1H4ESR1ESR2THRBGSTO1
SCHEMBL21735769 0.86 NR1H4 (0.39) NR1H4ESR1ESR2CA2HDAC6
SCHEMBL21735678 0.84 NR1H4 (0.40) NR1H4ESR1ESR2THRBCA2
SCHEMBL22628820 0.83 NR1H4 (0.39) NR1H4ESR1ESR2THRBCA2
SCHEMBL21734928 0.80 NPC1 (0.38) THRBHDAC6NPC1GAAMAPT
SCHEMBL21735450 0.80 ESR1 (0.39) NR1H4ESR1ESR2THRBGSTO1
SCHEMBL21735444 0.79 THRB (0.43) NR1H4ESR1ESR2THRBGSTO1
SCHEMBL21735471 0.79 THRB (0.43) NR1H4ESR1ESR2THRBGSTO1

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 898/4885ESR1 1822/4885ESR2 3189/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 NR1H4 898/4885ESR1 1822/4885ESR2 3189/4885

“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.