SCHEMBL4511591

SCHEMBL4511591

CC(C)c1cc2c(c(-c3ccc(F)cc3)c1C(O)c1ccc(C(C)(C)C)cc1)[C@@H](O)CC1(CCC1)O2

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CETP P11597 7/20 0.42
HSD11B1 P28845 1/20 0.32
GCGR P47871 1/20 0.32
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 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
SCHEMBL4511585 1.00 CETP (0.42) CETPHSD11B1GCGRAKR1C3AKR1C2
SCHEMBL4514631 1.00 CETP (0.42) CETPHSD11B1GCGRAKR1C3AKR1C2
SCHEMBL4494929 0.93 CETP (0.49) CETPHSD11B1GCGR
SCHEMBL4494932 0.93 CETP (0.49) CETPHSD11B1GCGR
SCHEMBL4508290 0.93 CETP (0.49) CETPHSD11B1GCGR
SCHEMBL11938638 0.90 CETP (0.47) CETPHSD11B1GCGRAKR1C3AKR1C2
SCHEMBL11938637 0.90 CETP (0.47) CETPHSD11B1GCGRAKR1C3AKR1C2
SCHEMBL4511582 0.89 CETP (0.39) CETPGCGRAKR1C3AKR1C2
SCHEMBL4493270 0.89 CETP (0.39) CETPGCGRAKR1C3AKR1C2
SCHEMBL4493274 0.89 CETP (0.39) CETPGCGRAKR1C3AKR1C2

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 2 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-20090306197-A1 Substituted Chromanol Derivatives and Their Use BAYER HEALTHCARE AG (DE) 2009-12-10 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 (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 108/4885HSD11B1 33/4885GCGR 215/4885

“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.