SCHEMBL21735510

SCHEMBL21735510

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
CYP19A1 P11511 2/20 0.33
ALOX5AP P20292 1/20 0.32
ITGB3 P05106 1/20 0.31
ITGAV P06756 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
AHR P35869 1/20 0.31
NTSR1 P30989 1/20 0.31
ABL1 P00519 1/20 0.31
OPRM1 P35372 1/20 0.31
KCNH2 Q12809 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
ELANE P08246 1/20 0.30
TEK Q02763 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
SCHEMBL22630059 0.87 CYP11B1 (0.35) CYP11B1CYP11B2CYP19A1ALOX5APITGB3
SCHEMBL21735826 0.80 MTNR1A (0.35) MTNR1AMTNR1B
SCHEMBL21735488 0.79 MTNR1A (0.32) CYP11B1CYP11B2CYP19A1ALOX5APMTNR1A
SCHEMBL21735506 0.79 CYP11B1 (0.35) CYP11B1CYP11B2CYP19A1ALOX5APITGB3
SCHEMBL21735489 0.79 CYP11B1 (0.32) CYP11B1CYP11B2CYP19A1ALOX5APITGB3
SCHEMBL21735700 0.78 MTNR1A (0.38) CYP19A1MTNR1AMTNR1BL3MBTL1
SCHEMBL21735143 0.78 MTNR1A (0.32) CYP11B1CYP11B2CYP19A1MTNR1AMTNR1B
SCHEMBL21735821 0.78 CYP11B1 (0.34) CYP11B1CYP11B2CYP19A1ALOX5APAHR
SCHEMBL21735002 0.78 HDAC1 (0.36) CYP11B1CYP11B2CYP19A1ABL1OPRM1
SCHEMBL21734972 0.78 CYP19A1 (0.35) CYP11B1CYP11B2CYP19A1ABL1OPRM1

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 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.