SCHEMBL21735765

SCHEMBL21735765

C=C(C)C(=O)OCC(C)(COc1ccc2cc(-c3ccccc3CC)sc2c1)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
CSNK1D P48730 1/20 0.31
PDK2 Q15119 1/20 0.31
NR1H4 Q96RI1 2/20 0.31
SLC16A3 O15427 1/20 0.31
SLC16A1 P53985 1/20 0.31
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL21735783 0.88 CA2 (0.31) CA2ESR1ESR2PDK2
SCHEMBL21735766 0.87 NR1H4 (0.40) CA2ESR1ESR2NR1H4
SCHEMBL21735254 0.85 THRB (0.32) PPARA
SCHEMBL26291744 0.85 CA2 (0.36) CA2ESR1ESR2CSNK1DNR1H4
SCHEMBL21735771 0.84 NR1H4 (0.31) NR1H4
SCHEMBL21735526 0.83 POLB (0.38) CA2ESR1ESR2PDK2
SCHEMBL22630009 0.82 CA2 (0.31) CA2
SCHEMBL22628732 0.82 POLB (0.33) CA2ESR1ESR2PDK2
SCHEMBL21735241 0.81 RAB9A (0.36) SLC16A3
SCHEMBL21735282 0.81 HDAC1 (0.37) NR1H4PPARD

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 CA2 3899/4885ESR1 1822/4885ESR2 3189/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 CA2 3899/4885ESR1 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.