SCHEMBL4493423

SCHEMBL4493423

CC(C)c1cc2c(c(-c3ccc(F)cc3)c1[C@@H](O)c1ccc(C(F)(F)F)cc1)[C@@H](O)CC(C)(C)O2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CETP P11597 13/20 0.46
KCNH2 Q12809 2/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
GCGR P47871 1/20 0.33
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
HSD11B1 P28845 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL4508331 1.00 CETP (0.46) CETPKCNH2PTGS1PTGS2PSEN1
SCHEMBL4493429 1.00 CETP (0.46) CETPKCNH2PTGS1PTGS2PSEN1
SCHEMBL4493274 0.93 CETP (0.39) CETPGCGRAKR1C3AKR1C2CNR1
SCHEMBL4493270 0.93 CETP (0.39) CETPGCGRAKR1C3AKR1C2CNR1
SCHEMBL4511582 0.93 CETP (0.39) CETPGCGRAKR1C3AKR1C2CNR1
SCHEMBL4503562 0.91 CETP (0.53) CETPKCNH2PTGS1PTGS2PSEN1
SCHEMBL4503553 0.91 CETP (0.53) CETPKCNH2PTGS1PTGS2PSEN1
SCHEMBL4506738 0.91 CETP (0.53) CETPKCNH2PTGS1PTGS2PSEN1
SCHEMBL11938638 0.90 CETP (0.47) CETPKCNH2PTGS1PTGS2PSEN1
SCHEMBL11938637 0.90 CETP (0.47) CETPKCNH2PTGS1PTGS2PSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227511-B2 Substituted chromanol derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-07-24 US disclosed
US-8227511-B2 Substituted chromanol derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-07-24 US disclosed
US-8227511-B2 Substituted chromanol derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-07-24 US disclosed
US-20090306197-A1 Substituted Chromanol Derivatives and Their Use BAYER HEALTHCARE AG (DE) 2009-12-10 US disclosed
US-20090306197-A1 Substituted Chromanol Derivatives and Their Use BAYER HEALTHCARE AG (DE) 2009-12-10 US disclosed
US-20090306197-A1 Substituted Chromanol Derivatives and Their Use BAYER HEALTHCARE AG (DE) 2009-12-10 US disclosed
WO-2007107243-A1 SUBSTITUTED CHROMANOL DERIVATIVES AND THEIR USE BAYER HEALTHCARE AG (DE) 2007-09-27 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-20090306197-A1 Substituted Chromanol Derivatives and Their Use CYP46A1, CBX3, CDYL CETP 108/4885KCNH2 1496/4885PTGS1 1338/4885

“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.