SCHEMBL4517516

SCHEMBL4517516

CC(C)c1cc2c(c(-c3ccc(F)cc3)c1Cc1ccc(C(F)(F)F)cc1)[C@@H](O)CC1(CCC1)O2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CETP P11597 10/20 0.42
KCNH2 Q12809 3/20 0.32
SSTR5 P35346 1/20 0.32
AR P10275 1/20 0.32
GCGR P47871 1/20 0.32
LTB4R Q15722 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
TRPV1 Q8NER1 2/20 0.31
CCR2 P41597 1/20 0.31
DGAT1 O75907 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
SCHEMBL4510946 0.93 CETP (0.36) CETPKCNH2SSTR5GCGRTRPV1
SCHEMBL4502681 0.89 CETP (0.35) CETPKCNH2SSTR5
SCHEMBL4510672 0.89 CETP (0.39) CETPKCNH2ARGCGRLTB4R
SCHEMBL4715648 0.89 CETP (0.36) CETPKCNH2SSTR5
SCHEMBL4494929 0.83 CETP (0.49) CETPKCNH2GCGR
SCHEMBL4495991 0.83 CETP (0.57) CETPKCNH2
SCHEMBL4495993 0.83 CETP (0.57) CETPKCNH2
SCHEMBL4508290 0.83 CETP (0.49) CETPKCNH2GCGR
SCHEMBL4494932 0.83 CETP (0.49) CETPKCNH2GCGR
SCHEMBL4499199 0.83 CETP (0.57) CETPKCNH2

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 1496/4885SSTR5 3759/4885

“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.