SCHEMBL4500622

SCHEMBL4500622

CC(C)c1cc2c(c(-c3ccc(F)cc3)c1Cc1ccc(OC(F)(F)F)cc1)[C@@H](O)CC(C)(C)O2

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.37
BACE1 P56817 1/20 0.37
ESR1 P03372 4/20 0.36
HCRTR1 O43613 13/20 0.36
HCRTR2 O43614 13/20 0.36
CETP P11597 1/20 0.35
CYP3A4 P08684 1/20 0.32

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
SCHEMBL4721981 1.00 CTSD (0.37) CTSDBACE1ESR1HCRTR1HCRTR2
SCHEMBL4502681 0.89 CETP (0.35) BACE1ESR1HCRTR1HCRTR2CETP
SCHEMBL4510672 0.89 CETP (0.39) CETP
SCHEMBL4508924 0.87 GCGR (0.33) CTSDBACE1CETP
SCHEMBL4505606 0.83 CETP (0.36) CTSDBACE1HCRTR1HCRTR2CETP
SCHEMBL4517595 0.83 CETP (0.36) CTSDBACE1HCRTR1HCRTR2CETP
SCHEMBL4508998 0.83 CTSD (0.37) CTSDBACE1HCRTR1HCRTR2CETP
SCHEMBL4517557 0.83 CTSD (0.37) CTSDBACE1HCRTR1HCRTR2CETP
SCHEMBL4505602 0.83 CETP (0.36) CTSDBACE1HCRTR1HCRTR2CETP
SCHEMBL4517516 0.78 CETP (0.42) CETP

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 CTSD 488/4885BACE1 1941/4885ESR1 499/4885

“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.