SCHEMBL4288561

SCHEMBL4288561

CC(C)COc1ccc(C=O)cc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.60
AOX1 Q06278 1/20 0.60
TRIM24 O15164 1/20 0.47
HPGD P15428 1/20 0.47
ALDH5A1 P51649 1/20 0.47
ABAT P80404 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PTGS2 P35354 1/20 0.47
RAB9A P51151 1/20 0.47
TTR P02766 2/20 0.47
FDPS P14324 1/20 0.45
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
TSHR P16473 1/20 0.43
GAA P10253 1/20 0.42
HIF1A Q16665 1/20 0.42
EP300 Q09472 1/20 0.41

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
SCHEMBL975113 0.87 ALDH1A1 (0.69) ALDH1A1AOX1TRIM24HPGDALDH5A1
SCHEMBL4278039 0.84 ALDH1A1 (0.57) ALDH1A1AOX1TRIM24HPGDALDH5A1
SCHEMBL7256139 0.83 ALDH1A1 (0.51) ALDH1A1AOX1TRIM24HPGDALDH5A1
SCHEMBL7256136 0.83 ALDH1A1 (0.51) ALDH1A1AOX1TRIM24HPGDALDH5A1
SCHEMBL7259925 0.83 ALDH1A1 (0.51) ALDH1A1AOX1TRIM24HPGDALDH5A1
SCHEMBL25327365 0.82 FDPS (0.50) ALDH1A1AOX1HPGDTDP1FDPS
SCHEMBL5448983 0.82 FDPS (0.46) ALDH1A1AOX1HPGDTDP1FDPS
SCHEMBL662141 0.81 ALDH1A1 (0.75) ALDH1A1AOX1TRIM24HPGDALDH5A1
SCHEMBL1339632 0.81 ALDH1A1 (0.50) ALDH1A1AOX1FDPSTSHRGAA
SCHEMBL3718546 0.81 FDPS (0.45) ALDH1A1AOX1HPGDRAB9AFDPS

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
US-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-05-07 US disclosed
US-7314888-B1 Compounds and medicinal use thereof TOYAMA CHEMICAL CO., LTD. (JP) 2008-01-01 US disclosed
EP-1127869-A1 NOVEL COMPOUNDS AND MEDICINAL USE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2001-08-29 EP 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-20090118169-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF SP1, AP1G1, AP1M1 ALDH1A1 2031/4885AOX1 2921/4885TRIM24 1176/4885

“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.