SCHEMBL21735840

SCHEMBL21735840

FOC(F)(F)OC(F)(F)OC(F)(F)CSc1ccc2cc(-c3ccccc3)oc2c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.36
MAOB P27338 2/20 0.33
SHBG P04278 1/20 0.32
FFAR1 O14842 1/20 0.31
CYP1A1 P04798 1/20 0.30
CYP1A2 P05177 1/20 0.30
FYN P06241 1/20 0.30
MAPK3 P27361 1/20 0.30
AHR P35869 1/20 0.30
PAX8 Q06710 1/20 0.30
ABCG2 Q9UNQ0 1/20 0.30
HIF1A Q16665 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
SCHEMBL22630069 0.86 HDAC6 (0.34) HDAC6SHBG
SCHEMBL21735278 0.82 HDAC6 (0.36) HDAC6MAOBFFAR1
SCHEMBL21735258 0.82 HDAC6 (0.36) HDAC6FFAR1
SCHEMBL21735499 0.73 ALOX5 (0.31)
SCHEMBL21735118 0.72 CYP3A4 (0.33) CYP1A2
SCHEMBL21735106 0.72 HDAC6 (0.36) HDAC6FFAR1
SCHEMBL21735111 0.72 HDAC6 (0.36) HDAC6FFAR1
SCHEMBL21735237 0.70 HDAC6 (0.37) HDAC6FFAR1HIF1A
SCHEMBL21735432 0.69 CYP19A1 (0.41)
SCHEMBL26291691 0.66 HDAC6 (0.44) HDAC6MAOBSHBGFFAR1

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 1975/4885MAOB 3207/4885SHBG 4468/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 HDAC6 1975/4885MAOB 3207/4885SHBG 4468/4885

“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.