SCHEMBL21735142

SCHEMBL21735142

C=C(C)C(=O)OC1CCC(Oc2ccc3cc(-c4cccnc4)n(CC(C)C)c3c2)C1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.33
CYP11B2 P19099 4/20 0.33
HRH3 Q9Y5N1 1/20 0.32
S1PR3 Q99500 3/20 0.32
ACACB O00763 1/20 0.31
AHR P35869 1/20 0.31
WNT1 P04628 2/20 0.31
DYRK1A Q13627 2/20 0.31
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL21735152 0.81 CYP11B1 (0.33) CYP11B1CYP11B2HRH3AHR
SCHEMBL21735813 0.79 MTNR1A (0.42) ALDH1A1
SCHEMBL22628841 0.78 CYP11B1 (0.36) CYP11B1CYP11B2KDM4E
SCHEMBL21734989 0.78 HDAC1 (0.36) CYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL21735163 0.78 POLB (0.34) CYP11B1CYP11B2AHRKDM4EALDH1A1
SCHEMBL21735489 0.77 CYP11B1 (0.32) CYP11B1CYP11B2AHRDYRK1A
SCHEMBL21735812 0.77
SCHEMBL21735173 0.76 ALDH1A1 (0.32) CYP11B1CYP11B2MKNK1MKNK2ALDH1A1
SCHEMBL21735814 0.74 CASR (0.33) HRH3
SCHEMBL21735155 0.73

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 2816/4885HRH3 31/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 CYP11B1 2888/4885CYP11B2 2816/4885HRH3 31/4885

“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.