SCHEMBL4508528

SCHEMBL4508528

CCCc1cc2c(c(OS(=O)(=O)C(F)(F)F)c1C=O)C(=O)CC(C)(C)O2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
RAB9A P51151 4/20 0.32
KDM4E B2RXH2 3/20 0.32
NPC1 O15118 3/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 2/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GLA P06280 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAOB P27338 2/20 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
SCHEMBL4506259 0.82 ALDH1A1 (0.37) ALDH1A1RAB9AKDM4ENPC1GAA
SCHEMBL4501140 0.78 ALDH1A1 (0.38) ALDH1A1RAB9AKDM4ENPC1GAA
SCHEMBL14413905 0.78 ALDH1A1 (0.37) ALDH1A1RAB9AKDM4ENPC1GAA
SCHEMBL4502467 0.76 ALDH1A1 (0.39) ALDH1A1RAB9AKDM4ENPC1GAA
SCHEMBL4508705 0.74 MAOB (0.39) ALDH1A1RAB9AKDM4ENPC1GAA
SCHEMBL4508350 0.71 ALDH1A1 (0.61) ALDH1A1RAB9AKDM4ENPC1GAA
SCHEMBL4506281 0.69 KDM4E (0.32) KDM4EHTT
SCHEMBL18581158 0.68 ALDH1A1 (0.40) ALDH1A1RAB9AKDM4ENPC1GAA
SCHEMBL4508143 0.66 ALDH1A1 (0.53) ALDH1A1RAB9AKDM4ENPC1GAA
SCHEMBL6086547 0.66 KDM4E (0.59) ALDH1A1KDM4ENPC1GAAHPGD

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 2 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-20090306197-A1 Substituted Chromanol Derivatives and Their Use BAYER HEALTHCARE AG (DE) 2009-12-10 US 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 1180/4885RAB9A 2455/4885KDM4E 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.