SCHEMBL21735152

SCHEMBL21735152

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

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
ABL1 P00519 8/20 0.31
AHR P35869 1/20 0.31
PADI4 Q9UM07 1/20 0.30
EGFR P00533 1/20 0.30
KCNT1 Q5JUK3 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
SCHEMBL21735811 0.91 MTNR1A (0.39) TRPV4MTNR1AMTNR1B
SCHEMBL21735142 0.81 CYP11B1 (0.33) CYP11B1CYP11B2HRH3AHR
SCHEMBL21735162 0.79 KCNA5 (0.33) CYP11B1CYP11B2TRPV4MTNR1AMTNR1B
SCHEMBL21735488 0.79 MTNR1A (0.32) CYP11B1CYP11B2TRPV4MTNR1AMTNR1B
SCHEMBL21735809 0.78 THRB (0.35)
SCHEMBL21735143 0.78 MTNR1A (0.32) CYP11B1CYP11B2TRPV4MTNR1AMTNR1B
SCHEMBL21735816 0.75 HRH3 (0.31) HRH3
SCHEMBL21734940 0.75 CYP11B1 (0.36) CYP11B1CYP11B2ABL1
SCHEMBL21734992 0.75 HDAC1 (0.37) CYP11B1CYP11B2ABL1
SCHEMBL21735813 0.72 MTNR1A (0.42) MTNR1AMTNR1B

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.