SCHEMBL21735304

SCHEMBL21735304

C=C(C)C(=O)OC1CCC(Oc2ccc3cc(-c4ccc(CC)cc4)sc3c2)C1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
HDAC6 Q9UBN7 1/20 0.33
NR1H4 Q96RI1 2/20 0.31
MCHR1 Q99705 1/20 0.31
ACACA Q13085 1/20 0.30
IKBKB O14920 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
SCHEMBL21735310 0.89 ESR1 (0.37) ESR1ESR2HDAC6NR1H4ACACA
SCHEMBL21734989 0.84 HDAC1 (0.36) HDAC6NR1H4
SCHEMBL21735318 0.83 THRB (0.31)
SCHEMBL21734985 0.83
SCHEMBL21735289 0.81 S1PR1 (0.31)
SCHEMBL21734988 0.81 PPARG (0.34)
SCHEMBL21735306 0.80 PCSK9 (0.32)
SCHEMBL21735814 0.78 CASR (0.33)
SCHEMBL21735295 0.76 ESR1 (0.38) ESR1ESR2HDAC6NR1H4
SCHEMBL22628862 0.76 ESR1 (0.36) ESR1ESR2HDAC6NR1H4IKBKB

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 ESR1 1822/4885ESR2 3189/4885HDAC6 1975/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 ESR1 1822/4885ESR2 3189/4885HDAC6 1975/4885

“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.