SCHEMBL2292469

SCHEMBL2292469

COC(=O)c1cc(F)ccc1OCCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.51
PPARD Q03181 1/20 0.51
LRRK2 Q5S007 4/20 0.48
FFAR4 Q5NUL3 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.47
KDM4E B2RXH2 3/20 0.46
PTGES O14684 2/20 0.45
ALOX5 P09917 2/20 0.45
PPARG P37231 2/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
CFTR P13569 1/20 0.44
PTPN1 P18031 1/20 0.43
SRPK3 Q9UPE1 1/20 0.43
PSEN1 P49768 1/20 0.43
HPGD P15428 1/20 0.43
S1PR1 P21453 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42

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 0.88 LRRK2 (0.58) PPARAPPARDLRRK2FFAR4KDM4E
SCHEMBL2294533 0.78 MRGPRX4 (0.42) PPARAPPARDLRRK2FFAR4KDM4E
SCHEMBL2294409 0.78 FFAR4 (0.56) LRRK2FFAR4HTTKMT2ASRPK3
SCHEMBL18914159 0.78 MAPT (0.48) FFAR4KDM4EHTTKMT2APTPN1
SCHEMBL24468015 0.77 SMN1; SMN2 (0.48) FFAR4KDM4EHTTKMT2AHPGD
SCHEMBL29629519 0.77 SMN1; SMN2 (0.48) FFAR4KDM4EHTTKMT2AHPGD
SCHEMBL22176379 0.77 MAPT (0.47) FFAR4KDM4EHTTKMT2AHPGD
SCHEMBL19684886 0.77 ALDH1A1 (0.50) FFAR4KDM4EHTTKMT2APTPN1
SCHEMBL2293313 0.76 PPARD (0.47) PPARAPPARDLRRK2SIRT2PTGES
SCHEMBL14966927 0.75 MEN1 (0.50) FFAR4KDM4EHTTKMT2APSEN1

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 15 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-8173704-B2 Difluorophenol derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-08 US disclosed
US-8173704-B2 Difluorophenol derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-08 US disclosed
US-8173704-B2 Difluorophenol derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-08 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-7998988-B2 Biphenyl compounds useful in the treatment or prevention of cardiovascular disorders BAYER SCHERING PHARMA AKTIENGELLSCHAFT (DE) 2011-08-16 US disclosed
US-20090291993-A1 Difluorophenol Derivatives and Their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2009-11-26 US disclosed
US-20090291993-A1 Difluorophenol Derivatives and Their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2009-11-26 US disclosed
US-20090291993-A1 Difluorophenol Derivatives and Their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2009-11-26 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
WO-2007045369-A1 DIFLUOROPHENOL DERIVATIVES AND THEIR USE 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 (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-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases TNNI3, PC, TNNT2 PPARA 227/4885PPARD 191/4885LRRK2 3897/4885
US-20090291993-A1 Difluorophenol Derivatives and Their Use TPMT, FABP3, DPP4 PPARA 70/4885PPARD 17/4885LRRK2 2321/4885

“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.