SCHEMBL4547664

SCHEMBL4547664

Fc1ccc(OCCc2ccc(C(F)(F)F)cc2)c(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.45
CYP11B2 P19099 4/20 0.45
CYP19A1 P11511 1/20 0.45
PPARD Q03181 2/20 0.42
PPARA Q07869 2/20 0.42
SIRT2 Q8IXJ6 1/20 0.39
PTGES O14684 2/20 0.38
ALOX5 P09917 2/20 0.38
PPARG P37231 2/20 0.38
KCNH2 Q12809 1/20 0.36
LRRK2 Q5S007 1/20 0.36
PTPN1 P18031 1/20 0.36
PSEN1 P49768 1/20 0.36
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL4547677 0.85 PPARD (0.44) PPARDPPARAALOX5PPARGLRRK2
SCHEMBL12384370 0.81 PTPN1 (0.43) PPARDLRRK2PTPN1
SCHEMBL2293313 0.79 PPARD (0.47) CYP11B1CYP11B2CYP19A1PPARDPPARA
SCHEMBL12384391 0.79 SLC1A5 (0.37) PPARDPPARAPTGESPPARGHTR2C
Bromide SCHEMBL2296471 0.79 PPARD (0.48) CYP11B1CYP11B2CYP19A1PPARDPPARA
SCHEMBL4603133 0.78 HTR2A (0.39) PPARDALOX5PSEN1SLC6A4
SCHEMBL12384381 0.78 MAOB (0.42) PPARDLRRK2PTPN1
SCHEMBL12384374 0.76 L3MBTL1 (0.47) LRRK2
SCHEMBL12384351 0.75 SLC6A4 (0.44) PTPN1SLC6A4
SCHEMBL12384331 0.74 PTPN1 (0.45) PPARDALOX5PTPN1PSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 CYP11B1 7/4885CYP11B2 6/4885CYP19A1 803/4885
US-20090291993-A1 Difluorophenol Derivatives and Their Use TPMT, FABP3, DPP4 CYP11B1 393/4885CYP11B2 345/4885CYP19A1 784/4885

“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.