SCHEMBL21735153

SCHEMBL21735153

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.32
CYP11B2 P19099 4/20 0.32
CYP19A1 P11511 1/20 0.32
TEK Q02763 1/20 0.32
AHR P35869 1/20 0.32
P4HTM Q9NXG6 1/20 0.32
F2 P00734 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ITGB3 P05106 1/20 0.31
ITGAV P06756 1/20 0.31
ALOX5AP P20292 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
USP2 O75604 1/20 0.30
HTT P42858 1/20 0.30
NCOA1 Q15788 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL22628719 0.91 F2 (0.34) CYP11B1CYP11B2CYP19A1TEKAHR
SCHEMBL21735506 0.87 CYP11B1 (0.35) CYP11B1CYP11B2CYP19A1TEKAHR
SCHEMBL21735012 0.83
SCHEMBL21735372 0.81 APP (0.37) CYP11B1CYP11B2CYP19A1NPC1RAB9A
SCHEMBL21735314 0.81 HDAC1 (0.36) CYP11B1CYP11B2CYP19A1P4HTMNPC1
SCHEMBL21735021 0.80 MTNR1A (0.36) CYP19A1L3MBTL1NPC1RAB9AHTT
SCHEMBL21735489 0.79 CYP11B1 (0.32) CYP11B1CYP11B2CYP19A1TEKAHR
SCHEMBL22628704 0.77 CYP19A1 (0.34) CYP11B1CYP11B2CYP19A1AHRL3MBTL1
SCHEMBL21735143 0.77 MTNR1A (0.32) CYP11B1CYP11B2CYP19A1TEKAHR
SCHEMBL21735569 0.74 POLB (0.40) ITGB3ITGAVHTTALDH1A1

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.