SCHEMBL585795

SCHEMBL585795

COC(=O)C(C)c1cc(OC)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
TMPRSS4 Q9NRS4 2/20 0.41
EPHX2 P34913 1/20 0.41
P2RX1 P51575 1/20 0.39
DGAT2 Q96PD7 2/20 0.39

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
SCHEMBL5226184 0.89 AKR1C3 (0.46) MAPK1AKR1C3AKR1C2PSEN1PSEN2
SCHEMBL586419 0.86 AKR1C3 (0.54) RXRARXRBRXRGMEN1LMNA
SCHEMBL1818894 0.79 SMN1; SMN2 (0.49) MEN1LMNAPOLBHTTKMT2A
SCHEMBL10084735 0.79 RXRA (0.40) RXRARXRBRXRGMEN1LMNA
SCHEMBL15947827 0.77 PTGS1 (0.56) MEN1LMNAPOLBHTTKMT2A
SCHEMBL1832140 0.77 HDAC3 (0.48) RXRARXRBRXRGMEN1LMNA
SCHEMBL20349590 0.77 MEN1 (0.44) RXRARXRBRXRGMEN1POLB
SCHEMBL15211719 0.76 SOS1 (0.40) RXRARXRBRXRGMEN1LMNA
SCHEMBL16952328 0.76 RXRA (0.38) RXRARXRBRXRGMEN1LMNA
SCHEMBL8078579 0.76 HPGD (0.50) AKR1C3AKR1C2PTGS1PTGS2

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-8148572-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
EP-1963259-B1 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2012-02-15 EP disclosed
EP-2305640-A2 Substituted diphenyl-ethers, -amines, -sulfides and -methanes for the treatment of respiratory diseases AstraZeneca AB (SE) 2011-04-06 EP disclosed
US-20090192163-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-07-30 US disclosed
US-20080293775-A1 Substituted Diphenylethers, -Amines, -Sulfides and -Methanes for the Treatment of Respiratory Disease ASTRAZENECA AB (SE) 2008-11-27 US disclosed
EP-1963259-A2 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE AstraZeneca AB (SE) 2008-09-03 EP disclosed
EP-1937632-A1 NOVEL COMPOUNDS Astra Zeneca AB (SE) 2008-07-02 EP disclosed
WO-2007068894-A2 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2007-06-21 WO disclosed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 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-20080293775-A1 Substituted Diphenylethers, -Amines, -Sulfides and -Methanes for the Treatment of Respiratory Disease PNMT, SQOR, SMS RXRA 1859/4885RXRB 1696/4885RXRG 1273/4885
US-20090192163-A1 Novel Compounds PAH, PC, DDC RXRA 581/4885RXRB 900/4885RXRG 955/4885

“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.