SCHEMBL21735162

SCHEMBL21735162

C=CC(=O)OCCCC(F)(F)CCCOc1ccc2cc(-c3cccnc3)n(CCCC(C)C)c2c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.33
MCL1 Q07820 2/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
AHR P35869 1/20 0.32
NTRK1 P04629 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 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
SCHEMBL21735167 0.91 MTNR1A (0.40) MCL1MTNR1AMTNR1BTRPV4ALDH1A1
SCHEMBL21735488 0.86 MTNR1A (0.32) MCL1MTNR1AMTNR1BAHRTRPV4
SCHEMBL21735143 0.85 MTNR1A (0.32) MCL1MTNR1AMTNR1BAHRTRPV4
SCHEMBL26292555 0.83 MTNR1A (0.44) MCL1MTNR1AMTNR1BMEN1ALDH1A1
SCHEMBL21735163 0.82 POLB (0.34) KCNA5AHRKDM4EMEN1ALDH1A1
SCHEMBL21735704 0.81 MTNR1A (0.43) MCL1MTNR1AMTNR1BALDH1A1
SCHEMBL21735152 0.79 CYP11B1 (0.33) MTNR1AMTNR1BAHRTRPV4CYP11B1
SCHEMBL22628866 0.78 KCNA5 (0.34) KCNA5NTRK1KDM4EMEN1ALDH1A1
SCHEMBL26291812 0.78 MTNR1A (0.45) MCL1MTNR1AMTNR1BMEN1ALDH1A1
SCHEMBL21735691 0.78 THRB (0.41) MCL1MTNR1AMTNR1BKDM4EKMT2A

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 KCNA5 355/4885MCL1 3909/4885MTNR1A 3327/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 KCNA5 355/4885MCL1 3909/4885MTNR1A 3327/4885

“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.