SCHEMBL21734933

SCHEMBL21734933

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

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.36
FFAR1 O14842 1/20 0.32
MMP12 P39900 1/20 0.31
MMP13 P45452 1/20 0.31
PTGS2 P35354 1/20 0.30
KLK7 P49862 1/20 0.30
PPARD Q03181 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
SCHEMBL21735267 0.90 CYP2E1 (0.32)
SCHEMBL21735214 0.87 HDAC6 (0.38) HDAC6FFAR1MMP12MMP13PTGS2
SCHEMBL22628735 0.87 HDAC6 (0.38) HDAC6FFAR1MMP12MMP13KLK7
SCHEMBL21734934 0.87 HDAC6 (0.36) HDAC6FFAR1MMP12MMP13PTGS2
SCHEMBL21734928 0.84 NPC1 (0.38) HDAC6KLK7
SCHEMBL21735307 0.81
SCHEMBL21735311 0.79 HDAC6 (0.36) HDAC6FFAR1PTGS2KLK7
SCHEMBL21735735 0.78 HDAC6 (0.38) HDAC6FFAR1MMP12MMP13PTGS2
SCHEMBL21735240 0.78 HDAC6 (0.37) HDAC6FFAR1PTGS2KLK7
SCHEMBL21735062 0.78 HDAC6 (0.37) HDAC6FFAR1PTGS2

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 HDAC6 1975/4885FFAR1 1590/4885MMP12 3480/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 HDAC6 1975/4885FFAR1 1590/4885MMP12 3480/4885

“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.