SCHEMBL4517595

SCHEMBL4517595

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.36
CTSD P07339 1/20 0.35
BACE1 P56817 1/20 0.35
HSD11B1 P28845 4/20 0.34
GCGR P47871 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TOP2A P11388 1/20 0.31
TOP2B Q02880 1/20 0.31
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31
P2RY1 P47900 1/20 0.31
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30

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
SCHEMBL4505606 1.00 CETP (0.36) CETPCTSDBACE1HSD11B1GCGR
SCHEMBL4505602 1.00 CETP (0.36) CETPCTSDBACE1HSD11B1GCGR
SCHEMBL4496498 0.89 CETP (0.39) CETPBACE1HSD11B1GCGRTOP2A
SCHEMBL4519034 0.89 CETP (0.39) CETPBACE1HSD11B1GCGRTOP2A
SCHEMBL4496503 0.89 CETP (0.39) CETPBACE1HSD11B1GCGRTOP2A
SCHEMBL4493429 0.89 CETP (0.46) CETPHSD11B1GCGR
SCHEMBL4493423 0.89 CETP (0.46) CETPHSD11B1GCGR
SCHEMBL4508331 0.89 CETP (0.46) CETPHSD11B1GCGR
SCHEMBL27762209 0.89 CTSD (0.35) CTSDBACE1HSD11B1MEN1KMT2A
SCHEMBL4511582 0.87 CETP (0.39) CETPGCGR

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 108/4885CTSD 488/4885BACE1 1941/4885

“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.