SCHEMBL4501378

SCHEMBL4501378

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.38
HSD11B1 P28845 4/20 0.34
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 5/20 0.33
GAA P10253 4/20 0.33
CETP P11597 2/20 0.32
HPGD P15428 3/20 0.32
GLA P06280 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
LMNA P02545 3/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
RAB9A P51151 2/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NPC1 O15118 1/20 0.31
HTT P42858 1/20 0.31
HCRTR1 O43613 1/20 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
SCHEMBL4501365 0.90 MAOB (0.37) MAOBHSD11B1ALDH1A1KDM4EGAA
SCHEMBL4504423 0.89 CETP (0.37) HSD11B1ALDH1A1KDM4ECETPHPGD
SCHEMBL4505879 0.88 CETP (0.41) MAOBHSD11B1ALDH1A1CETPPTGS2
SCHEMBL4505882 0.88 CETP (0.41) MAOBHSD11B1ALDH1A1CETPPTGS2
SCHEMBL4503613 0.86 CETP (0.34) MAOBALDH1A1CETP
SCHEMBL4496169 0.82 SMN1; SMN2 (0.38) MAOBHSD11B1ALDH1A1KDM4EGAA
SCHEMBL4501298 0.82 TOP2A (0.39) MAOBHSD11B1ALDH1A1KDM4EGAA
SCHEMBL4501290 0.80 HSD11B1 (0.35) HSD11B1ALDH1A1KDM4ECETPHPGD
SCHEMBL4504814 0.79 CETP (0.36) MAOBHSD11B1ALDH1A1KDM4ECETP
SCHEMBL4507210 0.78 CETP (0.46) HSD11B1KDM4ECETPHTTPTGS2

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 MAOB 311/4885HSD11B1 33/4885ALDH1A1 1180/4885

“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.