SCHEMBL4416382

SCHEMBL4416382

CCCCS(=O)(=O)Oc1ccc(-c2ccc3c(c2COc2cc([N+](=O)[O-])ccc2C)C(C)=CC(C)(C)N3)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 7/20 0.41
NR3C1 P04150 5/20 0.39
AR P10275 2/20 0.39
NR3C2 P08235 1/20 0.39
IL6 P05231 6/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL1315445 0.95 PGR (0.42) PGRNR3C1ARNR3C2IL6
SCHEMBL1314939 0.93 PGR (0.43) PGRNR3C1ARNR3C2IL6
SCHEMBL1316094 0.90 PGR (0.42) PGRNR3C1ARNR3C2ALDH1A1
SCHEMBL1315610 0.90 IL6 (0.48) PGRNR3C1ARIL6
SCHEMBL1315405 0.88 PGR (0.42) PGRNR3C1ARNR3C2IL6
SCHEMBL1313480 0.87 PGR (0.44) PGRNR3C1ARNR3C2IL6
SCHEMBL14847664 0.86 IL6 (0.37) IL6ALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL14847705 0.86 PGR (0.42) PGRNR3C1ARNR3C2IL6
SCHEMBL17676734 0.85 PGR (0.44) PGRNR3C1ARNR3C2IL6
SCHEMBL1314653 0.85 IL6 (0.49) PGRNR3C1ARIL6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440660-B2 Method for treating a disease related to the glucocorticoid receptor SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-05-14 US disclosed
US-8440660-B2 Method for treating a disease related to the glucocorticoid receptor SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-05-14 US disclosed
EP-2085387-B1 NOVEL 1,2-DIHYDROQUINOLINE DERIVATIVE HAVING SUBSTITUTED PHENYLCHALCOGENO LOWER ALKYL GROUP AND ESTER-INTRODUCED PHENYL GROUP AS SUBSTITUENTS SANTEN PHARMACEUTICAL CO LTD (JP) 2013-04-10 EP disclosed
US-20110275620-A1 Method for preventing or treating a disease related to the glucocorticoid receptor SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-11-10 US disclosed
US-20110275620-A1 Method for preventing or treating a disease related to the glucocorticoid receptor SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-11-10 US disclosed
US-8008496-B2 1,2-dihydroquinoline derivative having substituted phenylchalcogeno lower alkyl group and ester-introduced phenyl group as substituents SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-08-30 US disclosed
US-8008496-B2 1,2-dihydroquinoline derivative having substituted phenylchalcogeno lower alkyl group and ester-introduced phenyl group as substituents SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-08-30 US disclosed
US-20100056504-A1 NOVEL 1,2-DIHYDROQUINOLINE DERIVATIVE HAVING SUBSTITUTED PHENYLCHALCOGENO LOWER ALKYL GROUP AND ESTER- INTRODUCED PHENYL GROUP AS SUBSTITUENTS AYUMI PHARMACEUTICAL CORPORATION (JP) 2010-03-04 US disclosed
US-20100056504-A1 NOVEL 1,2-DIHYDROQUINOLINE DERIVATIVE HAVING SUBSTITUTED PHENYLCHALCOGENO LOWER ALKYL GROUP AND ESTER- INTRODUCED PHENYL GROUP AS SUBSTITUENTS AYUMI PHARMACEUTICAL CORPORATION (JP) 2010-03-04 US disclosed
EP-2085387-A1 NOVEL 1,2-DIHYDROQUINOLINE DERIVATIVE HAVING SUBSTITUTED PHENYLCHALCOGENO LOWER ALKYL GROUP AND ESTER-INTRODUCED PHENYL GROUP AS SUBSTITUENTS Santen Pharmaceutical Co., Ltd (JP) 2009-08-05 EP disclosed
EP-2085387-A1 NOVEL 1,2-DIHYDROQUINOLINE DERIVATIVE HAVING SUBSTITUTED PHENYLCHALCOGENO LOWER ALKYL GROUP AND ESTER-INTRODUCED PHENYL GROUP AS SUBSTITUENTS Santen Pharmaceutical Co., Ltd (JP) 2009-08-05 EP 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-20100056504-A1 NOVEL 1,2-DIHYDROQUINOLINE DERIVATIVE HAVING SUBSTITUTED PHENYLCHALCOGENO LOWER ALKYL GROUP AND ESTER- INTRODUCED PHENYL GROUP AS SUBSTITUENTS NR3C1, NR3C2, NR5A1 PGR 54/4885NR3C1 1/4885AR 94/4885
US-20110275620-A1 Method for preventing or treating a disease related to the glucocorticoid receptor NR3C1, NR3C2, NR5A1 PGR 183/4885NR3C1 1/4885AR 258/4885

“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.