SCHEMBL837247

SCHEMBL837247

COC(=O)C(C)c1cc(OC)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
PTGS2 P35354 3/20 0.43
PTGS1 P23219 2/20 0.43
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
TSHR P16473 2/20 0.43
CDC42 P60953 1/20 0.43
RAC1 P63000 1/20 0.43
CYP1A2 P05177 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TYK2 P29597 1/20 0.43
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
KCNH2 Q12809 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL20280298 0.83 LMNA (0.48) L3MBTL1TSHRMEN1KMT2AHTR2A
SCHEMBL24876464 0.82 PSEN1 (0.50) TSHRHTR2ASLC6A4KCNH2
SCHEMBL30192920 0.82 PSEN1 (0.50) TSHRHTR2ASLC6A4KCNH2
SCHEMBL4981399 0.82 CYP2D6 (0.58) TSHRCYP1A2HTTMEN1KMT2A
SCHEMBL9543816 0.81 TP53 (0.43) TDP1L3MBTL1PTGS2PTGS1AKR1C3
SCHEMBL31207283 0.81 HPGD (0.48) TDP1L3MBTL1PTGS2PTGS1AKR1C3
SCHEMBL3266178 0.79 TSHR (0.49) TDP1L3MBTL1PTGS2PTGS1TSHR
SCHEMBL1922871 0.77 PTGS2 (0.48) TDP1L3MBTL1PTGS2PTGS1AKR1C3
SCHEMBL31207244 0.77 NPC1 (0.45) TDP1L3MBTL1PTGS2PTGS1AKR1C3
SCHEMBL1494043 0.77 HTR2A (0.46) CYP1A2HTTMEN1KMT2AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883786-B2 Glucocorticoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2014-11-11 US disclosed
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2013-02-21 US disclosed
US-8143280-B2 Glucocorticoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-27 US disclosed
EP-2205562-B1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-03-16 EP disclosed
EP-2205562-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-07-14 EP disclosed
US-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 US disclosed
WO-2009040288-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 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-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R TDP1 3624/4885L3MBTL1 2134/4885PTGS2 991/4885
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R TDP1 3624/4885L3MBTL1 2134/4885PTGS2 991/4885

“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.