SCHEMBL21735698

SCHEMBL21735698

CC(=O)OCC(F)(F)C(F)(F)C(F)(F)COc1ccc2cc(-c3ccccc3)n(C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
ACSS2 Q9NR19 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NR1H2 P55055 1/20 0.35
PLA2G10 O15496 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP19A1 P11511 1/20 0.34
SRD5A2 P31213 1/20 0.34
STAT3 P40763 1/20 0.34
APP P05067 1/20 0.33

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
SCHEMBL21735347 0.88 MTNR1A (0.38) KMT2AMTNR1AMTNR1BALDH1A1HPGD
SCHEMBL21735689 0.81 KMT2A (0.40) KMT2AMTNR1AMTNR1BSMN1; SMN2NR1H2
SCHEMBL21735024 0.78 CYP11B1 (0.35) ALDH1A1SMN1; SMN2CYP19A1
SCHEMBL21735507 0.77 NR1H2 (0.41) KMT2AALDH1A1HPGDKDM4ENR1H2
SCHEMBL21735021 0.76 MTNR1A (0.36) KMT2AMTNR1AMTNR1BALDH1A1HPGD
SCHEMBL22630110 0.76 MTNR1A (0.44) KMT2AMTNR1AMTNR1BALDH1A1HPGD
SCHEMBL21735544 0.76 MTNR1A (0.41) MTNR1AMTNR1BALDH1A1KDM4EL3MBTL1
SCHEMBL21735702 0.75 THRB (0.41) KMT2AMTNR1AMTNR1BALDH1A1HPGD
SCHEMBL21735701 0.75 KMT2A (0.42) KMT2AMTNR1AMTNR1BACSS2ALDH1A1
SCHEMBL21735699 0.74 KMT2A (0.41) KMT2AMTNR1AMTNR1BACSS2ALDH1A1

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 KMT2A 4264/4885MTNR1A 3327/4885MTNR1B 2622/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 KMT2A 4264/4885MTNR1A 3327/4885MTNR1B 2622/4885

“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.