SCHEMBL21735547

SCHEMBL21735547

C=CC(=O)OCCCC(F)(F)CCCOc1ccc(-c2cc3ccccc3n2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.45
THRB P10828 1/20 0.42
APP P05067 4/20 0.41
HRH3 Q9Y5N1 1/20 0.40
KMT2A Q03164 1/20 0.40
FASN P49327 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
PPARA Q07869 1/20 0.36
PDE6D O43924 1/20 0.35
HDAC1 Q13547 5/20 0.34
HDAC2 Q92769 5/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HDAC3 O15379 3/20 0.34
HDAC4 P56524 3/20 0.34
HDAC7 Q8WUI4 3/20 0.34
HDAC10 Q969S8 3/20 0.34
HDAC11 Q96DB2 3/20 0.34
HDAC8 Q9BY41 3/20 0.34

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
SCHEMBL20473381 0.90 THRB (0.47) NR1H2THRBAPPHRH3KMT2A
SCHEMBL21735691 0.90 THRB (0.41) NR1H2THRBKMT2APPARAPDE6D
SCHEMBL21735512 0.88 NR1H2 (0.44) NR1H2THRBAPPHRH3KMT2A
SCHEMBL21735513 0.87 NR1H2 (0.45) NR1H2APPHRH3KMT2AFASN
SCHEMBL21735852 0.84 NR1H2 (0.51) NR1H2APPHRH3KMT2AFASN
SCHEMBL26291820 0.83 KMT2A (0.48) NR1H2THRBAPPHRH3KMT2A
SCHEMBL21735507 0.82 NR1H2 (0.41) NR1H2THRBAPPHRH3KMT2A
SCHEMBL21735704 0.80 MTNR1A (0.43) THRBHPGDTSHR
SCHEMBL23395595 0.79 THRB (0.46) NR1H2THRBHRH3KMT2APDE6D
SCHEMBL22245785 0.79 KMT2A (0.44) NR1H2THRBAPPHRH3KMT2A

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 146/4885THRB 3289/4885APP 450/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 NR1H2 146/4885THRB 3289/4885APP 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.