SCHEMBL4157542

SCHEMBL4157542

CC(C)(C)c1cc(CO)c2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(CO)c1O2

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36
CYP2C19 P33261 2/20 0.35
KLF10 Q13118 1/20 0.35
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HIF1A Q16665 1/20 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
SCHEMBL547487 0.77 ALDH1A1 (0.39) GABBR2GABBR1CYP2C19GABRA1GABRB2
SCHEMBL4020697 0.77 MAPT (0.42) CYP1A2
SCHEMBL811190 0.77 POLB (0.39) GABBR2GABBR1GABRA1GABRB2
Bromide SCHEMBL4158264 0.76 MAPT (0.41) CYP1A2
SCHEMBL30367805 0.75 GABBR2 (0.37) GABBR2GABBR1GABRA1GABRB2
SCHEMBL12587964 0.74 GABBR2 (0.32) GABBR2GABBR1
SCHEMBL14612293 0.74 GABBR2 (0.39) GABBR2GABBR1GABRA1GABRB2
SCHEMBL21327677 0.74 POLB (0.36) GABBR2GABBR1GABRA1GABRB2
SCHEMBL708899 0.74 GABBR2 (0.36) GABBR2GABBR1CYP2C19GABRA1GABRB2
SCHEMBL31462832 0.74 POLB (0.36) GABBR2GABBR1GABRA1GABRB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061755-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-05-27 EP disclosed
US-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-03-12 US disclosed
WO-2008109840-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-12 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-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS TFRC, SLC40A1, FECH GABBR2 4384/4885GABBR1 4419/4885CYP2C19 353/4885

“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.