SCHEMBL1779385

SCHEMBL1779385

COc1cc(OS(=O)(=O)CCC(F)(F)F)ccc1-c1ccc2c(c1C(OC=O)c1ccc(C)s1)C(C)=CC(C)(C)N2

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 14/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PGR P06401 8/20 0.33
AR P10275 3/20 0.32
NR3C2 P08235 1/20 0.32

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
SCHEMBL2395852 0.82 PGR (0.44) NR3C1PGRARNR3C2
SCHEMBL2541110 0.81 PGR (0.40) NR3C1PGRAR
SCHEMBL1325156 0.80 NR3C1 (0.38) NR3C1ALDH1A1MAPTHPGDHTT
SCHEMBL17667953 0.80 NR3C1 (0.47) NR3C1ALDH1A1MAPTHPGDHTT
SCHEMBL2544665 0.79 MAPT (0.40) NR3C1ALDH1A1MAPTHPGDHTT
SCHEMBL1779383 0.79 NR3C1 (0.35) NR3C1ALDH1A1MAPTHPGDHTT
SCHEMBL2393572 0.78 KDM4E (0.41) NR3C1ALDH1A1MAPTHPGDKDM4E
SCHEMBL4428816 0.78 MAPT (0.44) NR3C1ALDH1A1MAPTHPGDHTT
SCHEMBL17667944 0.76 MAPT (0.39) NR3C1ALDH1A1MAPTHTTNPSR1
SCHEMBL2346391 0.76 MAPT (0.41) NR3C1ALDH1A1MAPTHTTNPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426406-B2 Glucocorticoid receptor agonist comprising 2,2,4-trimethyl-6-phenyl-1,2-dihydroquinoline derivatives having substituted oxy group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-04-23 US disclosed
US-20110118260-A1 GLUCOCORTICOID RECEPTOR AGONIST COMPRISING 2,2,4-TRIMETHYL-6-PHENYL-1,2-DIHYDROQUINOLINE DERIVATIVES HAVING SUBSTITUTED OXY GROUP SANTEN PHARMACEUTICAL CO.,LTD. (JP) 2011-05-19 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 (1 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-20110118260-A1 GLUCOCORTICOID RECEPTOR AGONIST COMPRISING 2,2,4-TRIMETHYL-6-PHENYL-1,2-DIHYDROQUINOLINE DERIVATIVES HAVING SUBSTITUTED OXY GROUP NR3C1, NR3C2, MC2R NR3C1 1/4885ALDH1A1 3334/4885MAPT 4602/4885

“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.