SCHEMBL326212

SCHEMBL326212

O=C1CC(c2ccccc2)CC2=C1C(c1c[c][c]cc1)C1=C(CC(c3ccccc3)CC1=O)O2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
HTT P42858 3/20 0.46
GAA P10253 1/20 0.40
MAP1LC3B Q9GZQ8 6/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CTRB1 P17538 1/20 0.35
LMNA P02545 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
CYP19A1 P11511 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
SCHEMBL10046477 0.74 ALDH1A1 (0.46) ALDH1A1MAPTHTTGAAMAP1LC3B
SCHEMBL14889997 0.71 MEN1 (0.63) ALDH1A1MAPTHTTGAAMEN1
SCHEMBL10046482 0.69 GAA (0.51) ALDH1A1MAPTHTTGAAMEN1
SCHEMBL10046491 0.69 TSHR (0.41) ALDH1A1MAPTHTTGAAMEN1
SCHEMBL3004220 0.64 ALDH1A1 (0.43) ALDH1A1MAPTHTTGAAMAP1LC3B
SCHEMBL3129599 0.64 ALDH1A1 (0.72) ALDH1A1MAPTHTTGAAMEN1
SCHEMBL2996159 0.64 ALDH1A1 (0.45) ALDH1A1MAPTHTTGAAMAP1LC3B
SCHEMBL3119482 0.63 ALDH1A1 (0.71) ALDH1A1MAPTHTTGAAMEN1
SCHEMBL3005893 0.63 ALDH1A1 (0.42) ALDH1A1MAPTHTTGAAMAP1LC3B
SCHEMBL2991219 0.63 ALDH1A1 (0.42) ALDH1A1MAPTHTTGAAMAP1LC3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906416-B2 Xanthenedione derivatives for the treatment of pigmentation and skin ageing disorders PIERRE FABRE DERMO-COSMETIQUE (FR) 2014-12-09 US disclosed
EP-2590959-A1 XANTHENEDIONE DERIVATIVES FOR THE TREATMENT OF PIGMENTATION AND SKIN AGEING DISORDERS Pierre Fabre Dermo-Cosmétique (FR) 2013-05-15 EP disclosed
US-20130108568-A1 XANTHENEDIONE DERIVATIVES FOR THE TREATMENT OF PIGMENTATION AND SKIN AGEING DISORDERS PIERRE FABRE DERMO-COSMETIQUE (FR) 2013-05-02 US disclosed
WO-2012004390-A1 XANTHENEDIONE DERIVATIVES FOR THE TREATMENT OF PIGMENTATION AND SKIN AGEING DISORDERS PIERRE FABRE DERMO-COSMETIQUE (FR) 2012-01-12 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-20130108568-A1 XANTHENEDIONE DERIVATIVES FOR THE TREATMENT OF PIGMENTATION AND SKIN AGEING DISORDERS ACOX3, CBR3, GALR3 ALDH1A1 1099/4885MAPT 3426/4885HTT 987/4885

“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.