SCHEMBL21735337

SCHEMBL21735337

C=CC(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-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
CYP19A1 P11511 2/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
CDC7 O00311 1/20 0.34
DBF4 Q9UBU7 1/20 0.34
THRB P10828 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
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL21734995 0.90 THRB (0.41) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL21735790 0.90 HDAC1 (0.37) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL21735328 0.89 CYP19A1 (0.38) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL21735002 0.88 HDAC1 (0.36) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL21735298 0.88 HDAC1 (0.37) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL22630094 0.87 CYP19A1 (0.38) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL21735629 0.87 CYP11B2 (0.39) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL21735674 0.85 CYP11B2 (0.41) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL21735738 0.84 SIGMAR1 (0.37) CYP19A1CYP11B1CYP11B2THRBL3MBTL1
SCHEMBL21734996 0.84 ESR1 (0.35) HDAC6THRBKDM4EALDH1A1MEN1

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.