SCHEMBL4493404

SCHEMBL4493404

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 6/20 0.41
MAPT P10636 4/20 0.41
RAB9A P51151 5/20 0.38
NPC1 O15118 5/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 3/20 0.38
GAA P10253 3/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 2/20 0.35
APEX1 P27695 1/20 0.35
USP2 O75604 1/20 0.33
LDHA P00338 1/20 0.33
ESR1 P03372 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL4511670 0.84 KDM4E (0.37) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL4501245 0.81 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL4499404 0.79 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL4500647 0.78 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL4506259 0.76 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL4508143 0.72 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL4506446 0.71 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL28608422 0.70 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL18202408 0.68 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL28914664 0.68 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTRAB9ANPC1

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 1772/4885MAPT 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.