SCHEMBL21735200

SCHEMBL21735200

CCCCCc1ccc(-c2cc3ccc(SC(=O)N(C)C)cc3o2)c(OC(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.35
S1PR1 P21453 5/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
ALDH1A1 P00352 2/20 0.33
S1PR3 Q99500 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGES O14684 1/20 0.32
S1PR2 O95136 1/20 0.32
S1PR4 O95977 1/20 0.32
FAAH O00519 1/20 0.31
ALOX15 P16050 1/20 0.31
PTPN1 P18031 1/20 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
SCHEMBL21735207 0.89 ALOX5 (0.45) ALOX5S1PR1PPARGPPARAPTGES
SCHEMBL22629183 0.85 ALOX5 (0.37) ALOX5S1PR1PPARGPPARAALDH1A1
SCHEMBL21735203 0.85 ALDH1A1 (0.35) ALOX5S1PR1PPARAALDH1A1S1PR3
SCHEMBL22628800 0.84 ALOX5 (0.35) ALOX5S1PR1PPARGPPARAALDH1A1
SCHEMBL21735279 0.83 PTPN1 (0.34) ALDH1A1L3MBTL1PTPN1
SCHEMBL21735356 0.81 ALOX5 (0.49) ALOX5ALDH1A1PTGESALOX15PTPN1
SCHEMBL26291493 0.81 THRB (0.38) ALOX5S1PR1PPARGPPARAALDH1A1
SCHEMBL26291496 0.81 ALOX5 (0.33) ALOX5S1PR1PPARGPPARAALDH1A1
SCHEMBL20473343 0.80 ALOX5 (0.38) ALOX5S1PR1PPARGPPARAALDH1A1
SCHEMBL21735540 0.79 PTPN1 (0.49) ALOX5S1PR1PPARGPPARAS1PR3

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 ALOX5 167/4885S1PR1 3951/4885PPARG 749/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 ALOX5 167/4885S1PR1 3951/4885PPARG 749/4885

“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.