SCHEMBL21735394

SCHEMBL21735394

C=CC(=O)OCC(COc1ccc2cc(-c3cccnc3)n(C(C)C)c2c1)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.34
CYP11B2 P19099 4/20 0.34
CYP19A1 P11511 1/20 0.34
AHR P35869 1/20 0.33
F2 P00734 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TEK Q02763 2/20 0.32
CYP17A1 P05093 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
USP2 O75604 1/20 0.32
HTT P42858 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
NTSR1 P30989 1/20 0.31

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
SCHEMBL21735821 0.83 CYP11B1 (0.34) CYP11B1CYP11B2CYP19A1AHRF2
SCHEMBL21735798 0.80 MTNR1A (0.37) CYP19A1L3MBTL1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL21735758 0.79 HDAC1 (0.37) CYP11B1CYP11B2CYP19A1CYP17A1ALDH1A1
SCHEMBL21735223 0.79 CYP19A1 (0.36) CYP11B1CYP11B2CYP19A1ALDH1A1MEN1
SCHEMBL21735470 0.78 CYP11B1 (0.35) CYP11B1CYP11B2CYP19A1AHRCYP17A1
SCHEMBL21735395 0.77 CYP11B1 (0.36) CYP11B1CYP11B2CYP19A1AHRCYP17A1
SCHEMBL22630059 0.77 CYP11B1 (0.35) CYP11B1CYP11B2CYP19A1AHRL3MBTL1
SCHEMBL21735803 0.76 THRB (0.40)
SCHEMBL22628719 0.75 F2 (0.34) CYP11B1CYP11B2CYP19A1AHRF2
SCHEMBL21735024 0.74 CYP11B1 (0.35) CYP11B1CYP11B2CYP19A1TEKCYP17A1

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

“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.