SCHEMBL4501290

SCHEMBL4501290

CC(C)c1cc2c(c(-c3ccc(F)cc3)c1C(O)c1ccc(OC(F)(F)F)cc1)C(=O)CC1(CCC1)O2

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.35
TOP2A P11388 1/20 0.34
TOP2B Q02880 1/20 0.34
TRPM8 Q7Z2W7 3/20 0.32
CETP P11597 1/20 0.32
PTGS2 P35354 2/20 0.31
GCGR P47871 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 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
SCHEMBL4504423 0.91 CETP (0.37) HSD11B1TRPM8CETPPTGS2SLC6A2
SCHEMBL4505876 0.90 CETP (0.40) HSD11B1TOP2ATOP2BTRPM8CETP
SCHEMBL4501365 0.89 MAOB (0.37) HSD11B1TOP2ATOP2BGCGRKDM4E
SCHEMBL4500724 0.88 CETP (0.33) HSD11B1CETPGCGRKDM4E
SCHEMBL4504805 0.84 HSD11B1 (0.34) HSD11B1TRPM8PTGS2SLC6A2SLC6A4
SCHEMBL4519034 0.83 CETP (0.39) HSD11B1TOP2ATOP2BTRPM8CETP
SCHEMBL4496503 0.83 CETP (0.39) HSD11B1TOP2ATOP2BTRPM8CETP
SCHEMBL4496498 0.83 CETP (0.39) HSD11B1TOP2ATOP2BTRPM8CETP
SCHEMBL4501298 0.81 TOP2A (0.39) HSD11B1TOP2ATOP2BKDM4EALDH1A1
SCHEMBL4507210 0.80 CETP (0.46) HSD11B1TRPM8CETPPTGS2KDM4E

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 9 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
EP-1999123-A1 SUBSTITUTED CHROMANOL DERIVATIVES AND THEIR USE Bayer HealthCare AG (DE) 2008-12-10 EP disclosed
WO-2007107243-A1 SUBSTITUTED CHROMANOL DERIVATIVES AND THEIR USE BAYER HEALTHCARE AG (DE) 2007-09-27 WO 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 HSD11B1 33/4885TOP2A 1310/4885TOP2B 1172/4885

“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.