SCHEMBL4501245

SCHEMBL4501245

CC(C)c1cc2c(c(-c3ccccc3)c1C=O)C(=O)CC(C)(C)O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.38
MAOB P27338 1/20 0.36
MAPT P10636 2/20 0.35
ADRB2 P07550 4/20 0.34
ADRB1 P08588 4/20 0.34
ADRB3 P13945 2/20 0.34
HPGD P15428 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GLA P06280 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 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
SCHEMBL4499404 0.89 ALDH1A1 (0.39) ALDH1A1KDM4EMAOBMAPTHPGD
SCHEMBL4493404 0.81 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL4502467 0.80 ALDH1A1 (0.39) ALDH1A1KDM4EMAOBMAPTADRB2
SCHEMBL4500647 0.79 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL4496170 0.75 KDM4E (0.36) ALDH1A1KDM4EHTT
SCHEMBL4506259 0.75 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL4498335 0.71 KDM4E (0.39) ALDH1A1KDM4EMAOBMAPTADRB2
SCHEMBL4501298 0.71 TOP2A (0.39) ALDH1A1KDM4EMAOBMAPTADRB2
SCHEMBL4508705 0.69 MAOB (0.39) ALDH1A1KDM4EMAOBMAPTHPGD
SCHEMBL4496529 0.66 KDM4E (0.33) KDM4EHTT

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 1180/4885KDM4E 1772/4885MAOB 311/4885

“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.