SCHEMBL4496498

SCHEMBL4496498

CC(C)c1cc2c(c(-c3ccc(F)cc3)c1[C@H](O)c1ccc(OC(F)(F)F)cc1)[C@@H](O)CC1(CCC1)O2

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CETP P11597 5/20 0.39
HSD11B1 P28845 4/20 0.36
TRPM8 Q7Z2W7 6/20 0.31
TRPV1 Q8NER1 3/20 0.31
BACE1 P56817 1/20 0.30
GCGR P47871 1/20 0.30
TOP2A P11388 1/20 0.30
TOP2B Q02880 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL4519034 1.00 CETP (0.39) CETPHSD11B1TRPM8TRPV1BACE1
SCHEMBL4496503 1.00 CETP (0.39) CETPHSD11B1TRPM8TRPV1BACE1
SCHEMBL4501588 0.92 CETP (0.46) CETPHSD11B1TRPM8TRPV1HCRTR1
SCHEMBL4494929 0.89 CETP (0.49) CETPHSD11B1GCGR
SCHEMBL4505606 0.89 CETP (0.36) CETPHSD11B1BACE1GCGRTOP2A
SCHEMBL4517595 0.89 CETP (0.36) CETPHSD11B1BACE1GCGRTOP2A
SCHEMBL4508290 0.89 CETP (0.49) CETPHSD11B1GCGR
SCHEMBL4494932 0.89 CETP (0.49) CETPHSD11B1GCGR
SCHEMBL4505602 0.89 CETP (0.36) CETPHSD11B1BACE1GCGRTOP2A
SCHEMBL4511591 0.88 CETP (0.42) CETPHSD11B1GCGR

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 33/4885TRPM8 1891/4885

“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.