SCHEMBL21735549

SCHEMBL21735549

Cn1c(-c2ccc(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCO)cc2)cc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.50
KMT2A Q03164 2/20 0.46
APP P05067 4/20 0.45
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
FASN P49327 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36

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
SCHEMBL21735701 0.88 KMT2A (0.42) NR1H2KMT2AAPPALDH1A1KDM4E
SCHEMBL21735512 0.84 NR1H2 (0.44) NR1H2KMT2AAPPHRH3ALDH1A1
SCHEMBL21735852 0.83 NR1H2 (0.51) NR1H2KMT2AAPPHRH3ALDH1A1
SCHEMBL21735558 0.83 NR1H2 (0.43) NR1H2KMT2AAPPHRH3MEN1
SCHEMBL26292370 0.80 KMT2A (0.54) NR1H2KMT2AAPPHRH3ALDH1A1
SCHEMBL26292342 0.78 KMT2A (0.61) NR1H2KMT2AAPPHRH3ALDH1A1
SCHEMBL22245988 0.76 NR1H2 (0.50) NR1H2KMT2AAPPHRH3ALDH1A1
SCHEMBL11716097 0.74 KMT2A (0.63) NR1H2KMT2AAPPHRH3ALDH1A1
SCHEMBL21735555 0.74 NR1H2 (0.41) NR1H2KMT2AAPPALDH1A1KDM4E
SCHEMBL21735702 0.74 THRB (0.41) NR1H2KMT2AALDH1A1KDM4EHPGD

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 NR1H2 146/4885KMT2A 4264/4885APP 450/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 NR1H2 146/4885KMT2A 4264/4885APP 450/4885

“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.