SCHEMBL5040691

SCHEMBL5040691

CC1=CC(C)(C)N(Cc2ccccc2)c2ccc(-c3ccccc3OCc3ccccc3)c(COC(=O)c3ccccc3)c21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 14/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PPIA P62937 1/20 0.36
CYP2C9 P11712 2/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
LMNA P02545 1/20 0.35
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL5038507 0.86 PTGER1 (0.39) PTGER1TDP1RXRARXRBRXRG
SCHEMBL5040550 0.80 NPSR1 (0.48) KMT2ATDP1CYP2C9LMNAUSP2
SCHEMBL5040858 0.79 NR3C1 (0.49) PTGER1SLC6A2SLC6A3KMT2ATDP1
SCHEMBL5034379 0.79 NPSR1 (0.39) SLC6A2SLC6A3KMT2ATDP1CYP2C9
SCHEMBL12236721 0.78 NPSR1 (0.53) KMT2ATDP1CYP2C9LMNAUSP2
SCHEMBL5034752 0.72 NR3C1 (0.47)
SCHEMBL5034846 0.71 NR3C1 (0.45) KMT2ATDP1CYP2C9LMNA
SCHEMBL5035570 0.71 KMT2A (0.45) KMT2ATDP1CYP2C9LMNAUSP2
SCHEMBL5034770 0.70 NPSR1 (0.43) KMT2ATDP1CYP2C9LMNAUSP2
SCHEMBL2391901 0.70 NPSR1 (0.37) KMT2ATDP1CYP2C9USP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20090326009-A1 Novel 1-2-Dihydroquinoline Derivative Having Glucocorticoid Receptor Binding Activity NR3C1, NR3C2, NR5A1 PTGER1 500/4885SLC6A2 1864/4885SLC6A3 1620/4885

“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.