SCHEMBL21735513

SCHEMBL21735513

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.45
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
APP P05067 4/20 0.41
HRH3 Q9Y5N1 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
FASN P49327 1/20 0.36
PPARA Q07869 1/20 0.34
HDAC1 Q13547 3/20 0.34
HDAC2 Q92769 3/20 0.34
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC8 Q9BY41 2/20 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
SCHEMBL21735547 0.87 NR1H2 (0.45) NR1H2APPHRH3KMT2ADRD2
SCHEMBL22245755 0.87 POLB (0.44) NR1H2POLBAPEX1HTTTDP1
SCHEMBL22245798 0.86 TDP1 (0.43) NR1H2POLBAPEX1HTTTDP1
SCHEMBL22593745 0.84 HTT (0.44) NR1H2POLBAPEX1HTTTDP1
SCHEMBL21735852 0.84 NR1H2 (0.51) NR1H2APPHRH3KMT2ADRD2
SCHEMBL26291803 0.83 KMT2A (0.48) NR1H2APPHRH3KMT2ADRD2
SCHEMBL21735853 0.81 MTNR1A (0.42) NR1H2POLBAPEX1HTTTDP1
SCHEMBL21735569 0.80 POLB (0.40) NR1H2POLBAPEX1HTTTDP1
SCHEMBL21735689 0.80 KMT2A (0.40) NR1H2KMT2APPARAHDAC1HDAC2
SCHEMBL20476662 0.79 KMT2A (0.44) NR1H2POLBHTTAPPHRH3

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 146/4885POLB 3540/4885APEX1 649/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 NR1H2 146/4885POLB 3540/4885APEX1 649/4885

“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.