SCHEMBL4501588

SCHEMBL4501588

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

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CETP P11597 5/20 0.46
HSD11B1 P28845 4/20 0.36
HCRTR1 O43613 3/20 0.32
HCRTR2 O43614 3/20 0.32
TRPM8 Q7Z2W7 6/20 0.31
TRPV1 Q8NER1 3/20 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
SCHEMBL4496498 0.92 CETP (0.39) CETPHSD11B1HCRTR1HCRTR2TRPM8
SCHEMBL4519034 0.92 CETP (0.39) CETPHSD11B1HCRTR1HCRTR2TRPM8
SCHEMBL4496503 0.92 CETP (0.39) CETPHSD11B1HCRTR1HCRTR2TRPM8
SCHEMBL4495993 0.89 CETP (0.57) CETPHSD11B1
SCHEMBL4495991 0.89 CETP (0.57) CETPHSD11B1
SCHEMBL4499199 0.89 CETP (0.57) CETPHSD11B1
SCHEMBL11938636 0.86 CETP (0.44) CETPHSD11B1TRPM8TRPV1
SCHEMBL11938639 0.86 CETP (0.55) CETPHSD11B1
SCHEMBL14413938 0.86 CETP (0.55) CETPHSD11B1
SCHEMBL4512205 0.84 HSD11B1 (0.36) CETPHSD11B1HCRTR1HCRTR2TRPM8

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 108/4885HSD11B1 33/4885HCRTR1 3270/4885

“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.