SCHEMBL21735002

SCHEMBL21735002

C=CC(=O)OCC(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)COc1ccc2cc(-c3cccnc3)sc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
F9 P00740 1/20 0.35
F10 P00742 1/20 0.35
CYP11B1 P15538 4/20 0.35
CYP11B2 P19099 4/20 0.35
CYP19A1 P11511 2/20 0.35
CDC7 O00311 1/20 0.34
DBF4 Q9UBU7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ABL1 P00519 1/20 0.34
OPRM1 P35372 1/20 0.34
KCNH2 Q12809 1/20 0.34
PPARD Q03181 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL21735325 0.90 ESR1 (0.37) HDAC1HDAC6HDAC2NR1H4GAA
SCHEMBL21735007 0.89 CYP11B1 (0.38) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL21735337 0.88 HDAC1 (0.36) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL21735460 0.87 HDAC1 (0.38) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL21735524 0.86 CYP11B2 (0.40) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL21735271 0.85 HDAC1 (0.37) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL22629242 0.85 CYP11B2 (0.41) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL21735302 0.84 HDAC1 (0.36) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL21734972 0.83 CYP19A1 (0.35) CYP11B1CYP11B2CYP19A1L3MBTL1ABL1
SCHEMBL21735326 0.81 FGFR1 (0.33)

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 HDAC1 2135/4885HDAC6 1975/4885HDAC3 1380/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 HDAC1 2135/4885HDAC6 1975/4885HDAC3 1380/4885

“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.