SCHEMBL5111725

SCHEMBL5111725

CC1(C)OC(=O)Nc2cccc(Cl)c21

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PGR P06401 10/20 0.52
NR3C1 P04150 1/20 0.46
NR3C2 P08235 1/20 0.46
AR P10275 1/20 0.46
AKR1B1 P15121 1/20 0.43
CES1 P23141 1/20 0.42
PDE7A Q13946 1/20 0.39
PBRM1 Q86U86 5/20 0.36
TGM2 P21980 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL3378589 0.81 PGR (0.47) PGRNR3C1NR3C2ARAKR1B1
SCHEMBL10915272 0.80 PGR (0.46) PGRNR3C1NR3C2AR
SCHEMBL10916257 0.77 PGR (0.48) PGRNR3C1NR3C2AR
SCHEMBL5115070 0.74 PGR (0.47) PGRNR3C1NR3C2AR
SCHEMBL631642 0.73 PGR (0.55) PGRNR3C1NR3C2AR
SCHEMBL10917362 0.71 PGR (0.42) PGRNR3C1NR3C2AR
SCHEMBL24112426 0.71 PDK2 (0.53) PGRAKR1B1CES1PDE7APBRM1
SCHEMBL5125520 0.70 PGR (0.66) PGRNR3C1NR3C2AR
SCHEMBL3869904 0.70 PGR (1.00) PGRNR3C1NR3C2AR
SCHEMBL10994244 0.69 PGR (0.42) PGRNR3C1NR3C2ARAKR1B1

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-20160218301-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME LG CHEM, LTD. (KR) 2016-07-28 US disclosed
US-7442696-B2 Mineralocorticoid receptor modulator compounds, processes for their preparation, and their uses LIGAND PHARMACEUTICALS, INC. (US) 2008-10-28 US disclosed
US-20070197520-A1 MINERALOCORTICOID RECEPTOR MODULATOR COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND THEIR USES LIGAND PHARMACEUTICALS INC. 2007-08-23 US disclosed
WO-2006010142-A2 MINERALOCORTICOID RECEPTOR MODULATOR COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND THEIR USE LIGAND PHARMACEUTICALS, INC. (US) 2006-01-26 WO 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-20160218301-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME CRY1, CRY2, NR2E3 PGR 1225/4885NR3C1 1226/4885NR3C2 1445/4885
US-20070197520-A1 MINERALOCORTICOID RECEPTOR MODULATOR COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND THEIR USES NR3C2, MC2R, NR3C1 PGR 194/4885NR3C1 3/4885NR3C2 1/4885

“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.