SCHEMBL4024339

SCHEMBL4024339

COC(=O)c1cc(C(C)(C)C)cc2c1Oc1c(C(=O)OC)cc(C(C)(C)C)cc1C2(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36
CA12 O43570 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
RAB9A P51151 4/20 0.34
LMNA P02545 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
CFTR P13569 1/20 0.33
RXRA P19793 1/20 0.33
PDK2 Q15119 3/20 0.33
GAA P10253 2/20 0.33
NR1I2 O75469 2/20 0.32
NPC1 O15118 3/20 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
SCHEMBL12587964 0.91 GABBR2 (0.32) GABBR2GABBR1CA12CA2CA9
SCHEMBL12587965 0.90 GABBR2 (0.31) GABBR2GABBR1CA12CA2CA9
SCHEMBL504056 0.83 RXRB (0.39) GABBR2GABBR1ALDH1A1KDM4EHPGD
SCHEMBL29415451 0.83 RXRB (0.39) GABBR2GABBR1ALDH1A1KDM4EHPGD
SCHEMBL1977392 0.76 RXRB (0.34) GABBR2GABBR1ALDH1A1KDM4EHPGD
SCHEMBL13309460 0.74 NR5A2 (0.44) ALDH1A1HPGDL3MBTL1HSD17B10
SCHEMBL3270203 0.74 NR5A2 (0.44) CA12CA2CA9LMNAALDH1A1
SCHEMBL13955178 0.73 GABBR2 (0.34) GABBR2GABBR1LMNAMAPTHPGD
SCHEMBL24001528 0.72 CFTR (0.41) CA12CA2CA9RAB9ALMNA
SCHEMBL811190 0.72 POLB (0.39) GABBR2GABBR1

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 4419/4885CA12 1033/4885

“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.