SCHEMBL21734995

SCHEMBL21734995

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
NR1H4 Q96RI1 2/20 0.36
HDAC1 Q13547 6/20 0.34
HDAC2 Q92769 6/20 0.34
KDM4E B2RXH2 1/20 0.33
GSTO1 P78417 2/20 0.33
PPARA Q07869 1/20 0.32
CA2 P00918 1/20 0.32
HDAC6 Q9UBN7 4/20 0.32
HDAC3 O15379 3/20 0.31
HDAC4 P56524 3/20 0.31
HDAC7 Q8WUI4 3/20 0.31
HDAC10 Q969S8 3/20 0.31
HDAC11 Q96DB2 3/20 0.31
HDAC8 Q9BY41 3/20 0.31
HDAC9 Q9UKV0 3/20 0.31
HDAC5 Q9UQL6 3/20 0.31
CPT2 P23786 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
SCHEMBL21735337 0.90 HDAC1 (0.36) THRBNR1H4HDAC1HDAC2KDM4E
SCHEMBL21734996 0.89 ESR1 (0.35) THRBESR1ESR2NR1H4KDM4E
SCHEMBL21735471 0.89 THRB (0.43) THRBESR1ESR2NR1H4HDAC1
SCHEMBL21735325 0.87 ESR1 (0.37) THRBESR1ESR2NR1H4HDAC1
SCHEMBL21735000 0.87 NR1H4 (0.38) ESR1ESR2NR1H4HDAC1HDAC2
SCHEMBL21735444 0.87 THRB (0.43) THRBESR1ESR2NR1H4HDAC1
SCHEMBL21735413 0.81 THRB (0.41) THRBKDM4EHDAC6
SCHEMBL21735450 0.80 ESR1 (0.39) THRBESR1ESR2NR1H4HDAC1
SCHEMBL21735429 0.79 NR1H4 (0.39) THRBESR1ESR2NR1H4GSTO1
SCHEMBL21735760 0.79 NR1H4 (0.40) THRBESR1ESR2NR1H4KDM4E

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 THRB 3289/4885ESR1 1822/4885ESR2 3189/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 THRB 3289/4885ESR1 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.