SCHEMBL5521083

SCHEMBL5521083

CON(C)C(=O)CC(C)(C)c1cccc2c1OCC2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 5/20 0.44
PARP1 P09874 1/20 0.42
PGR P06401 4/20 0.41
NR3C2 P08235 4/20 0.41
AR P10275 1/20 0.39
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
MAPK14 Q16539 1/20 0.32
KIF11 P52732 1/20 0.31
EPHX2 P34913 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ACKR3 P25106 2/20 0.31
KDM4C Q9H3R0 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
SCHEMBL5520778 0.82 NR3C1 (0.49) NR3C1PARP1PGRNR3C2AR
SCHEMBL6555672 0.81 NR3C1 (0.48) NR3C1PARP1PGRNR3C2AR
SCHEMBL1493954 0.79 NR3C1 (0.52) NR3C1PARP1PGRNR3C2AR
SCHEMBL8488477 0.77 PARP1 (0.43) PARP1HTR2AHTR2CKDM4C
SCHEMBL6680532 0.74 PARP1 (0.46) PARP1EPHX2
SCHEMBL6680529 0.74 PARP1 (0.46) PARP1EPHX2
SCHEMBL12505563 0.74 NR3C1 (0.48) NR3C1PARP1PGRNR3C2AR
SCHEMBL12388673 0.74 PARP1 (0.59) PARP1MAPK14KIF11
SCHEMBL5516442 0.72 NR3C1 (0.47) NR3C1PARP1PGRNR3C2AR
SCHEMBL1492597 0.72 NR3C1 (0.58) NR3C1PARP1PGRNR3C2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7268152-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
US-7268152-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
US-7268152-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
US-20040029932-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-02-12 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-20040029932-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R NR3C1 1/4885PARP1 3656/4885PGR 216/4885

“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.