SCHEMBL21735568

SCHEMBL21735568

CC(C)CCn1c(-c2ccccc2)cc2ccc(OCC(F)(F)C(F)(F)C(F)(F)CO)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
CNR2 P34972 1/20 0.33
HPGD P15428 1/20 0.33
BACE1 P56817 1/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP17A1 P05093 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
NR1H2 P55055 1/20 0.32
PDK2 Q15119 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
SCHEMBL22630110 0.87 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL21735544 0.86 MTNR1A (0.41) MTNR1AMTNR1BALDH1A1KDM4EL3MBTL1
SCHEMBL21735854 0.84 MTNR1A (0.42) MTNR1AMTNR1BALDH1A1L3MBTL1GRIK1
SCHEMBL26292366 0.77 MTNR1A (0.47) MTNR1AMTNR1BALDH1A1KDM4ESMN1; SMN2
SCHEMBL21735698 0.73 KMT2A (0.40) MTNR1AMTNR1BALDH1A1KDM4ESMN1; SMN2
SCHEMBL26292361 0.72 MTNR1A (0.46) MTNR1AMTNR1BALDH1A1KDM4ESMN1; SMN2
SCHEMBL21735706 0.72 MTNR1A (0.40) MTNR1AMTNR1BALDH1A1KDM4ESMN1; SMN2
SCHEMBL26298680 0.72 MTNR1A (0.46) MTNR1AMTNR1BALDH1A1KDM4ESMN1; SMN2
SCHEMBL21735692 0.71 MTNR1A (0.58) MTNR1AMTNR1BALDH1A1KDM4ESMN1; SMN2
SCHEMBL23893555 0.71 MTNR1A (0.45) MTNR1AMTNR1BALDH1A1KDM4ESMN1; SMN2

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 MTNR1A 3327/4885MTNR1B 2622/4885ALDH1A1 1851/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 MTNR1A 3327/4885MTNR1B 2622/4885ALDH1A1 1851/4885

“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.