SCHEMBL4498335

SCHEMBL4498335

CC(C)c1cc2c(c(-c3ccccc3)c1C(=O)c1ccc(OC(F)(F)F)cc1)C(=O)CC(C)(C)O2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
P2RY1 P47900 1/20 0.35
CCR6 P51684 1/20 0.35
KCNH2 Q12809 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL4496169 0.92 SMN1; SMN2 (0.38) KDM4ELMNAMAPTTSHRRAB9A
SCHEMBL4501298 0.83 TOP2A (0.39) KDM4ELMNAMAPTTSHRRAB9A
SCHEMBL4510222 0.82 CYP11B1 (0.36) CYP11B1CYP11B2P2RY1CCR6KCNH2
SCHEMBL27741639 0.81 CYP11B1 (0.35) CYP11B1CYP11B2P2RY1CCR6KCNH2
SCHEMBL4504805 0.81 HSD11B1 (0.34) KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL4496175 0.80 ESR1 (0.38) LMNAMAPTTSHRRAB9ASMN1; SMN2
SCHEMBL4517557 0.75 CTSD (0.37) SMN1; SMN2P2RY1
SCHEMBL4508998 0.75 CTSD (0.37) SMN1; SMN2P2RY1
SCHEMBL4501378 0.74 MAOB (0.38) KDM4ELMNAMAPTTSHRRAB9A
SCHEMBL27762201 0.74 CTSD (0.36) SMN1; SMN2P2RY1

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 KDM4E 1772/4885LMNA 98/4885MAPT 4404/4885

“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.