SCHEMBL4518993

SCHEMBL4518993

CC1(C)C[C@H](O)c2c(cc(C3CCCC3)c([C@H](O)c3ccc(C(F)(F)F)cc3)c2-c2ccc(F)cc2)O1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CETP P11597 18/20 0.52
KCNH2 Q12809 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33

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
SCHEMBL4508848 1.00 CETP (0.52) CETPKCNH2PTGS1PTGS2PSEN1
SCHEMBL4508849 1.00 CETP (0.52) CETPKCNH2PTGS1PTGS2PSEN1
SCHEMBL4496697 0.92 CETP (0.60) CETP
SCHEMBL4496701 0.92 CETP (0.60) CETP
SCHEMBL11938627 0.89 CETP (0.47) CETP
SCHEMBL11938626 0.89 CETP (0.47) CETP
SCHEMBL4500457 0.86 CETP (0.44) CETP
SCHEMBL4508331 0.85 CETP (0.46) CETPKCNH2PTGS1PTGS2PSEN1
SCHEMBL4493429 0.85 CETP (0.46) CETPKCNH2PTGS1PTGS2PSEN1
SCHEMBL4493423 0.85 CETP (0.46) 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 9 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
EP-1999123-A1 SUBSTITUTED CHROMANOL DERIVATIVES AND THEIR USE Bayer HealthCare AG (DE) 2008-12-10 EP disclosed
WO-2007107243-A1 SUBSTITUTED CHROMANOL DERIVATIVES AND THEIR USE BAYER HEALTHCARE AG (DE) 2007-09-27 WO 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.