SCHEMBL4516774

SCHEMBL4516774

CC(C)c1cc(O)c2c(c1)OC1(CC1)CC2=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
PTPN1 P18031 3/20 0.39
KDM4E B2RXH2 3/20 0.37
RAB9A P51151 3/20 0.36
HTT P42858 2/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 2/20 0.36
TSHR P16473 2/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
RIPK1 Q13546 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
SCHEMBL4497492 0.94 ALDH1A1 (0.46) ALDH1A1PTPN1KDM4ERAB9AHTT
SCHEMBL4506446 0.84 ALDH1A1 (0.68) ALDH1A1PTPN1KDM4ERAB9AHTT
SCHEMBL4508215 0.80 ALDH1A1 (0.67) ALDH1A1PTPN1KDM4ERAB9AHTT
SCHEMBL4509269 0.75 CNR2 (0.49) ALDH1A1PTPN1KDM4ERAB9AHTT
SCHEMBL11110017 0.75 ALDH1A1 (0.63) ALDH1A1PTPN1KDM4ERAB9AHTT
SCHEMBL4508936 0.75 ALDH1A1 (0.63) ALDH1A1PTPN1KDM4ERAB9AHTT
SCHEMBL9444249 0.74 ALDH1A1 (0.61) ALDH1A1PTPN1KDM4ERAB9AHTT
SCHEMBL9444373 0.71 MEN1 (0.49) ALDH1A1KDM4ERAB9AHTTNPC1
SCHEMBL4506121 0.69 ALDH1A1 (0.42) ALDH1A1PTPN1KDM4ERAB9AHTT
SCHEMBL11112856 0.68 PTPN1 (0.49) PTPN1

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 7 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
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 1180/4885PTPN1 2738/4885KDM4E 1772/4885

“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.