SCHEMBL8239331

SCHEMBL8239331

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

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.58
FFAR4 Q5NUL3 2/20 0.56
PTPN1 P18031 1/20 0.53
SRPK3 Q9UPE1 1/20 0.52
MRGPRX4 Q96LA9 5/20 0.51
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
KDM4E B2RXH2 1/20 0.47
FFAR1 O14842 1/20 0.47
PPARD Q03181 2/20 0.47
PTGES O14684 1/20 0.47
ALOX5 P09917 1/20 0.47
PPARG P37231 1/20 0.47
PSEN1 P49768 1/20 0.47
PAX8 Q06710 1/20 0.47
PPARA Q07869 1/20 0.46
MAOB P27338 1/20 0.46
CFTR P13569 1/20 0.46

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
SCHEMBL2294409 0.90 FFAR4 (0.56) LRRK2FFAR4SRPK3RXRARXRB
SCHEMBL2292469 0.88 PPARA (0.51) LRRK2FFAR4PTPN1SRPK3MRGPRX4
SCHEMBL8243758 0.86 LRRK2 (0.58) LRRK2PTPN1SRPK3MRGPRX4RXRA
SCHEMBL17040660 0.84 FFAR4 (0.60) LRRK2FFAR4MRGPRX4FFAR1
SCHEMBL30660491 0.81 LRRK2 (0.55) LRRK2FFAR4SRPK3MRGPRX4RXRA
SCHEMBL26931289 0.81 LRRK2 (0.55) LRRK2FFAR4SRPK3MRGPRX4RXRA
SCHEMBL1647426 0.81 LRRK2 (0.62) LRRK2PTPN1SRPK3MRGPRX4RXRA
SCHEMBL2294533 0.80 MRGPRX4 (0.42) LRRK2FFAR4MRGPRX4KDM4EPPARD
SCHEMBL1646760 0.80 FFAR4 (0.55) LRRK2FFAR4KDM4EFFAR1MAOB
SCHEMBL30660527 0.78 FFAR4 (0.52) LRRK2FFAR4SRPK3MRGPRX4RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 LRRK2 3897/4885FFAR4 2560/4885PTPN1 3484/4885

“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.