SCHEMBL21735279

SCHEMBL21735279

CN(C)C(=O)Sc1ccc2cc(-c3ccc(Br)cc3OC(F)(F)F)oc2c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.34
NCEH1 Q6PIU2 2/20 0.33
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ADRA2A P08913 3/20 0.32
MCHR1 Q99705 3/20 0.32
MAOB P27338 4/20 0.31
MAOA P21397 2/20 0.31
NPY5R Q15761 2/20 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
SCHEMBL21735204 0.88 PTPN1 (0.46) PTPN1NCEH1ALDH1A1MAOBMAOA
SCHEMBL21735200 0.83 ALOX5 (0.35) PTPN1ALDH1A1L3MBTL1
SCHEMBL21735221 0.81 ALDH1A1 (0.39) PTPN1NCEH1ALDH1A1L3MBTL1MAOB
SCHEMBL21735193 0.78 MAOB (0.47) NCEH1ALDH1A1MAOBMAOA
SCHEMBL21735257 0.76 PTPN1 (0.56) PTPN1ALDH1A1MAOB
SCHEMBL23395607 0.71 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAOBMAOA
SCHEMBL21735207 0.70 ALOX5 (0.45) PTPN1MAOBMAOA
SCHEMBL21735218 0.70 ALDH1A1 (0.41) ALDH1A1L3MBTL1MAOBMAOA
SCHEMBL5750613 0.70 NCEH1 (0.57) NCEH1ALDH1A1L3MBTL1
SCHEMBL23395580 0.67 PTPN1 (0.62) PTPN1ALDH1A1

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 PTPN1 4838/4885NCEH1 508/4885ALDH1A1 1851/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 PTPN1 4838/4885NCEH1 508/4885ALDH1A1 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.