SCHEMBL21735323

SCHEMBL21735323

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.36
PTGS2 P35354 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GLA P06280 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NFKB1 P19838 1/20 0.32
NPY1R P25929 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FFAR1 O14842 1/20 0.32
HIF1A Q16665 1/20 0.32
CYP26A1 O43174 1/20 0.31
CYP26B1 Q9NR63 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 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
SCHEMBL21735373 0.90 CYP3A4 (0.34) NPC1KDM4EMEN1KMT2AALDH1A1
SCHEMBL21735237 0.88 HDAC6 (0.37) HDAC6PTGS2NPC1RAB9AKDM4E
SCHEMBL21735311 0.88 HDAC6 (0.36) HDAC6PTGS2NPC1RAB9AKDM4E
SCHEMBL21735504 0.86 HDAC6 (0.36) HDAC6MEN1KMT2ASMN1; SMN2FFAR1
SCHEMBL21735278 0.85 HDAC6 (0.36) HDAC6PTGS2NPC1RAB9AKDM4E
SCHEMBL21735308 0.84 RAB9A (0.42) HDAC6PTGS2NPC1RAB9AKDM4E
SCHEMBL22629014 0.84 HDAC6 (0.34) HDAC6PTGS2NPC1RAB9AKDM4E
SCHEMBL21735367 0.82
SCHEMBL26291691 0.82 HDAC6 (0.44) HDAC6PTGS2NPC1RAB9AKDM4E
SCHEMBL21734934 0.80 HDAC6 (0.36) HDAC6PTGS2NPC1RAB9AKDM4E

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 1975/4885PTGS2 1531/4885NPC1 1051/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 HDAC6 1975/4885PTGS2 1531/4885NPC1 1051/4885

“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.