SCHEMBL21735504

SCHEMBL21735504

CC(C)C(C)C(=O)OCC(C)(CSc1ccc2cc(-c3ccccc3)oc2c1)CC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.36
KLK7 P49862 1/20 0.34
FFAR1 O14842 1/20 0.32
HIF1A Q16665 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL22629014 0.87 HDAC6 (0.34) HDAC6KLK7MEN1LMNAMAPT
SCHEMBL21735323 0.86 HDAC6 (0.36) HDAC6FFAR1HIF1AMEN1LMNA
SCHEMBL21735311 0.86 HDAC6 (0.36) HDAC6KLK7FFAR1HIF1AMEN1
SCHEMBL21735373 0.76 CYP3A4 (0.34) MEN1CYP3A4KMT2ASMN1; SMN2
SCHEMBL21735363 0.76 CYP3A4 (0.34) MEN1CYP3A4KMT2ASMN1; SMN2
SCHEMBL21735240 0.74 HDAC6 (0.37) HDAC6KLK7FFAR1HIF1AMEN1
SCHEMBL21735237 0.74 HDAC6 (0.37) HDAC6FFAR1HIF1AMEN1LMNA
SCHEMBL21735844 0.74 SRD5A1 (0.34) KLK7CYP3A4SMN1; SMN2
SCHEMBL22628735 0.73 HDAC6 (0.38) HDAC6KLK7FFAR1MEN1LMNA
SCHEMBL21735503 0.72 RAB9A (0.40) HDAC6KLK7MEN1LMNATP53

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 2 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
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 HDAC6 1975/4885KLK7 2762/4885FFAR1 1590/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 HDAC6 1975/4885KLK7 2762/4885FFAR1 1590/4885

“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.