SCHEMBL5034787

SCHEMBL5034787

CCOc1cccc2c1oc(=O)c1c3c(ccc12)NC(C)(C)C=C3C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 7/20 0.52
▸ NR3C1 P04150 13/20 0.44
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL5035576 0.90 PGR (0.50) PGRNR3C1
SCHEMBL2394299 0.89 PGR (0.55) PGRNR3C1
SCHEMBL5035706 0.88 PGR (0.51) PGRNR3C1TDP1
SCHEMBL5035638 0.82 PGR (0.57) PGRNR3C1
SCHEMBL2397969 0.82 PGR (0.57) PGRNR3C1
SCHEMBL2395756 0.78 PGR (0.54) PGRNR3C1KDM4EALDH1A1CYP3A4
SCHEMBL2391670 0.77 PGR (0.53) PGRNR3C1
SCHEMBL2393047 0.77 PGR (0.73) PGRNR3C1KDM4EALDH1A1MEN1
SCHEMBL29918234 0.77 PGR (0.53) PGRNR3C1
SCHEMBL5032324 0.77 PGR (0.53) PGRNR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420635-B2 Method for preventing or treating a glucocorticoid receptor-related disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-04-16 — — US disclosed
US-8420635-B2 Method for preventing or treating a glucocorticoid receptor-related disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-04-16 — — US disclosed
US-20110263589-A1 Method for preventing or treating a glucocorticoid receptor-related disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-10-27 — — US disclosed
US-20110263589-A1 Method for preventing or treating a glucocorticoid receptor-related disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-10-27 — — US disclosed
US-8017775-B2 1-2-dihydroquinoline derivative having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-13 — — US disclosed
US-8017775-B2 1-2-dihydroquinoline derivative having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-13 — — US disclosed
US-20090326009-A1 Novel 1-2-Dihydroquinoline Derivative Having Glucocorticoid Receptor Binding Activity Santen Pharmaceutical Co., (JP) 2009-12-31 — — US disclosed
US-20090326009-A1 Novel 1-2-Dihydroquinoline Derivative Having Glucocorticoid Receptor Binding Activity Santen Pharmaceutical Co., (JP) 2009-12-31 — — US disclosed
EP-1944290-A1 NOVEL 1-2-DIHYDROQUINOLINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-07-16 — — 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-20090326009-A1 Novel 1-2-Dihydroquinoline Derivative Having Glucocorticoid Receptor Binding Activity NR3C1, NR3C2, NR5A1 PGR 201/4885NR3C1 1/4885KDM4E 3839/4885
US-20110263589-A1 Method for preventing or treating a glucocorticoid receptor-related disease NR3C1, NR3C2, NR5A1 PGR 257/4885NR3C1 1/4885KDM4E 4659/4885

“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.

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