SCHEMBL2294409

SCHEMBL2294409

COC(=O)c1cc(F)ccc1OCc1ccc(C(C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.56
LRRK2 Q5S007 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
RXRG P48443 1/20 0.47
FFAR1 O14842 1/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 1/20 0.45
SRPK3 Q9UPE1 1/20 0.44
NR4A2 P43354 2/20 0.44
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
NR4A1 P22736 1/20 0.43
NR4A3 Q92570 1/20 0.43

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
SCHEMBL8239331 0.90 LRRK2 (0.58) FFAR4LRRK2RXRARXRBRXRG
SCHEMBL2294442 0.87 RXRA (0.55) FFAR4LRRK2L3MBTL1KMT2AMEN1
SCHEMBL12952790 0.85 APP (0.51) FFAR4L3MBTL1SMN1; SMN2RXRARXRB
SCHEMBL6564646 0.85 RXRA (0.47) FFAR4L3MBTL1SMN1; SMN2RXRARXRB
SCHEMBL5927325 0.85 PTGER1 (0.51) LRRK2L3MBTL1RXRARXRBRXRG
SCHEMBL17040660 0.84 FFAR4 (0.60) FFAR4LRRK2L3MBTL1KMT2ASMN1; SMN2
SCHEMBL6564411 0.81 MAPT (0.51) KMT2AMEN1SMN1; SMN2RXRARXRB
SCHEMBL13581072 0.81 EPHX2 (0.50) FFAR4L3MBTL1RXRARXRBRXRG
SCHEMBL1646760 0.80 FFAR4 (0.55) FFAR4LRRK2L3MBTL1KMT2AMEN1
SCHEMBL6565768 0.78 TRPV1 (0.53) L3MBTL1KMT2AMEN1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940811-B1 HETEROCYCLIC COMPOUNDS WITH CARBOXYL ISOSTERE GROUPS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2014-02-26 EP disclosed
US-7998988-B2 Biphenyl compounds useful in the treatment or prevention of cardiovascular disorders BAYER SCHERING PHARMA AKTIENGELLSCHAFT (DE) 2011-08-16 US disclosed
US-7998988-B2 Biphenyl compounds useful in the treatment or prevention of cardiovascular disorders BAYER SCHERING PHARMA AKTIENGELLSCHAFT (DE) 2011-08-16 US disclosed
US-7998988-B2 Biphenyl compounds useful in the treatment or prevention of cardiovascular disorders BAYER SCHERING PHARMA AKTIENGELLSCHAFT (DE) 2011-08-16 US disclosed
US-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases BAYER HEALTHCARE AG (DE) 2009-09-10 US disclosed
US-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases BAYER HEALTHCARE AG (DE) 2009-09-10 US disclosed
US-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases BAYER HEALTHCARE AG (DE) 2009-09-10 US disclosed
WO-2007045366-A1 HETEROCYCLIC COMPOUNDS WITH CARBOXYL ISOSTERE GROUPS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-04-26 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 (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-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases TNNI3, PC, TNNT2 FFAR4 2560/4885LRRK2 3897/4885L3MBTL1 3300/4885

“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.