SCHEMBL4497492

SCHEMBL4497492

CC(C)c1cc(O)c2c(c1)OC1(CCC1)CC2=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 4/20 0.41
HTT P42858 2/20 0.40
ATM Q13315 1/20 0.40
PTPN1 P18031 3/20 0.38
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 3/20 0.33
TSHR P16473 2/20 0.33
CYP19A1 P11511 2/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 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
SCHEMBL4516774 0.94 ALDH1A1 (0.48) ALDH1A1KDM4EHTTATMPTPN1
SCHEMBL4506446 0.82 ALDH1A1 (0.68) ALDH1A1KDM4EHTTPTPN1RAB9A
SCHEMBL4508936 0.81 ALDH1A1 (0.63) ALDH1A1KDM4EHTTATMPTPN1
SCHEMBL11110017 0.79 ALDH1A1 (0.63) ALDH1A1KDM4EHTTATMPTPN1
SCHEMBL9444249 0.77 ALDH1A1 (0.61) ALDH1A1KDM4EHTTATMPTPN1
SCHEMBL4508215 0.75 ALDH1A1 (0.67) ALDH1A1KDM4EHTTPTPN1RAB9A
SCHEMBL4506121 0.75 ALDH1A1 (0.42) ALDH1A1KDM4EHTTATMPTPN1
SCHEMBL9444373 0.75 MEN1 (0.49) ALDH1A1KDM4EHTTATMRAB9A
SCHEMBL4511670 0.74 KDM4E (0.37) ALDH1A1KDM4EHTTATMRAB9A
SCHEMBL4466020 0.72 KDM4E (0.46) ALDH1A1KDM4EHTTATMNPC1

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 ALDH1A1 1180/4885KDM4E 1772/4885HTT 1918/4885

“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.