SCHEMBL21735328

SCHEMBL21735328

C=C(C)C(=O)OCCC(F)(F)OC(F)(F)OC(F)(F)CCOc1ccc2cc(-c3cccnc3)sc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.38
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
F9 P00740 1/20 0.36
F10 P00742 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
PPARD Q03181 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34

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
SCHEMBL21735000 0.91 NR1H4 (0.38) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL22628731 0.90 HDAC1 (0.37) CYP19A1CYP11B1CYP11B2HDAC3HDAC1
SCHEMBL21735007 0.90 CYP11B1 (0.38) CYP19A1CYP11B1CYP11B2HDAC3HDAC1
SCHEMBL22630094 0.90 CYP19A1 (0.38) CYP19A1CYP11B1CYP11B2HDAC3HDAC1
SCHEMBL21735337 0.89 HDAC1 (0.36) CYP19A1CYP11B1CYP11B2HDAC3HDAC1
SCHEMBL21735286 0.89 POLB (0.38) CYP19A1CYP11B1CYP11B2HDAC3HDAC1
SCHEMBL21735629 0.87 CYP11B2 (0.39) CYP19A1CYP11B1CYP11B2HDAC3HDAC1
SCHEMBL21735674 0.85 CYP11B2 (0.41) CYP19A1CYP11B1CYP11B2HDAC3HDAC1
SCHEMBL26291783 0.84 HDAC3 (0.42) CYP19A1CYP11B1CYP11B2HDAC3HDAC1
SCHEMBL21735557 0.84 CYP19A1 (0.37) CYP19A1CYP11B1CYP11B2CDC7DBF4

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 CYP19A1 2317/4885CYP11B1 2888/4885CYP11B2 2816/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 CYP19A1 2317/4885CYP11B1 2888/4885CYP11B2 2816/4885

“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.