SCHEMBL4499404

SCHEMBL4499404

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MAOB P27338 3/20 0.38
TP53 P04637 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KDM4E B2RXH2 3/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
ALPL P05186 1/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL4501245 0.89 ALDH1A1 (0.40) ALDH1A1MAOBTP53KDM4EMAPT
SCHEMBL4496170 0.86 KDM4E (0.36) ALDH1A1KDM4EHTTPTGS1PTGS2
SCHEMBL4508705 0.81 MAOB (0.39) ALDH1A1MAOBTP53RXFP1KDM4E
SCHEMBL4493404 0.79 ALDH1A1 (0.50) ALDH1A1TP53KDM4EMAPTRAB9A
SCHEMBL4500647 0.77 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL8855007 0.77 ALDH1A1 (0.34) ALDH1A1KDM4ELMNAPTGS2TSHR
SCHEMBL4499940 0.76 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL4503613 0.75 CETP (0.34) ALDH1A1MAOBTP53RXFP1
SCHEMBL4505879 0.75 CETP (0.41) ALDH1A1MAOBTP53RXFP1PTGS1
SCHEMBL4505882 0.75 CETP (0.41) ALDH1A1MAOBTP53RXFP1PTGS1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101443321-B Substituted chromanol derivatives and uses thereof BAYER SCHERING PHARMA AG 2012-09-26 CN 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-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
CN-101443321-A Substituted chromanol derivatives and uses thereof BAYER HEALTHCARE AG (DE) 2009-05-27 CN 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 ALDH1A1 1180/4885MAOB 311/4885TP53 1763/4885

“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.