SCHEMBL21735366

SCHEMBL21735366

C=CC(=O)OC1CCC(Oc2ccc3cc(-c4ccccc4)oc3c2)C1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.39
MAOB P27338 1/20 0.35
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
GLA P06280 2/20 0.34
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 1/20 0.34
HIF1A Q16665 2/20 0.33
ACSL1 P33121 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
SCD5 Q86SK9 1/20 0.32
PTGS2 P35354 1/20 0.32
KLK7 P49862 1/20 0.32
FFAR1 O14842 1/20 0.32

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
SCHEMBL21734940 0.89 CYP11B1 (0.36) MEN1KMT2AKDM4ES1PR1SCD5
SCHEMBL22624932 0.89 NPC1 (0.49) MAOBNPC1RAB9AMEN1KMT2A
SCHEMBL21735354 0.87 MAOB (0.33) HDAC6MAOBNPC1RAB9AMEN1
SCHEMBL21735352 0.86 HDAC6 (0.38) HDAC6MAOBNPC1RAB9AMEN1
SCHEMBL22628853 0.85 KLK7 (0.40) HDAC6MAOBNPC1RAB9AMEN1
SCHEMBL21734944 0.80 MAOB (0.33) MAOBS1PR1S1PR3
SCHEMBL21735295 0.80 ESR1 (0.38) HDAC6NPC1RAB9AHDAC2ALDH1A1
SCHEMBL22624990 0.80 RAB9A (0.39) MAOBNPC1RAB9AMEN1KMT2A
SCHEMBL22628842 0.80 HDAC6 (0.36) HDAC6MAOBNPC1RAB9AMEN1
SCHEMBL21734943 0.78 HDAC6 (0.39) HDAC6MAOBNPC1RAB9AMEN1

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 1975/4885MAOB 3207/4885NPC1 1051/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 HDAC6 1975/4885MAOB 3207/4885NPC1 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.