SCHEMBL10046493

SCHEMBL10046493

COc1cc(C2C3=C(CC(C(C)C)CC3=O)OC3=C2C(=O)CC(C(C)C)C3)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GPR174 Q9BXC1 1/20 0.44
PTPN1 P18031 2/20 0.43
POLB P06746 1/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP1B1 Q16678 1/20 0.43
CYP19A1 P11511 1/20 0.43
ALOX5 P09917 1/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
TSHR P16473 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
SCHEMBL10046494 0.82 GAA (0.56) GAAALDH1A1HTTLMNAMEN1
SCHEMBL10046482 0.81 GAA (0.51) GAAALDH1A1HTTLMNAMEN1
SCHEMBL10046492 0.80 GAA (0.46) GAAALDH1A1HTTLMNAMEN1
SCHEMBL325499 0.79 GPR174 (0.57) GAAALDH1A1HTTLMNAMEN1
SCHEMBL10046487 0.77 GAA (0.73) GAAALDH1A1HTTLMNAMEN1
SCHEMBL14904060 0.77 GAA (0.51) GAAALDH1A1HTTLMNAMEN1
SCHEMBL15057514 0.76 ATM (0.48) GAAALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL30545905 0.67 GPR174 (0.75) GAAALDH1A1HTTLMNAMEN1
SCHEMBL7820721 0.67 GPR174 (0.75) GAAALDH1A1HTTLMNAMEN1
SCHEMBL9223540 0.67 ALOX5 (0.55) GAAMEN1KMT2AL3MBTL1PTPN1

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 6 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
US-8906416-B2 Xanthenedione derivatives for the treatment of pigmentation and skin ageing disorders PIERRE FABRE DERMO-COSMETIQUE (FR) 2014-12-09 US 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
US-20130108568-A1 XANTHENEDIONE DERIVATIVES FOR THE TREATMENT OF PIGMENTATION AND SKIN AGEING DISORDERS PIERRE FABRE DERMO-COSMETIQUE (FR) 2013-05-02 US 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 GAA 1289/4885ALDH1A1 1099/4885HTT 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.