SCHEMBL562553

SCHEMBL562553

CCCCCCCCOc1ccc(Sc2ccc(O)cc2O)c(O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.63
LTA4H P09960 2/20 0.55
MEN1 O00255 2/20 0.51
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CNR2 P34972 3/20 0.49
TSHR P16473 3/20 0.47
TP53 P04637 2/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX5 P09917 1/20 0.47
TYR P14679 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH2 P05091 1/20 0.44

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
SCHEMBL562795 0.97 NR5A1 (0.57) NR5A1LTA4HMEN1MAPTKMT2A
SCHEMBL563529 0.87 NR5A1 (0.49) NR5A1LTA4HMEN1MAPTKMT2A
SCHEMBL562871 0.87 NR5A1 (0.49) NR5A1LTA4HMEN1MAPTKMT2A
SCHEMBL561835 0.87 NR5A1 (0.49) NR5A1LTA4HMEN1MAPTKMT2A
SCHEMBL563355 0.85 NR5A1 (0.46) NR5A1LTA4HMEN1MAPTKMT2A
SCHEMBL9799612 0.81 NR5A1 (0.71) NR5A1LTA4HMEN1MAPTKMT2A
SCHEMBL9697418 0.81 NR5A1 (0.71) NR5A1LTA4HMEN1MAPTKMT2A
SCHEMBL9001511 0.81 NR5A1 (0.71) NR5A1LTA4HMEN1MAPTKMT2A
SCHEMBL7054543 0.80 NR5A1 (0.70) NR5A1LTA4HMEN1MAPTKMT2A
SCHEMBL11346377 0.80 NR5A1 (0.70) NR5A1LTA4HMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859819-B2 Sulphurated derivatives of resorcinol, preparation of same and cosmetic uses thereof PIERRE FABRE DERMO-COSMETIQUE (FR) 2014-10-14 US claimed
EP-2417104-A1 SULPHURATED DERIVATIVES OF RESORCINOL, PREPARATION OF SAME AND COSMETIC USES THEREOF Pierre Fabre Dermo-Cosmétique (FR) 2012-02-15 EP claimed
US-20120034176-A1 SULPHURATED DERIVATIVES OF RESORCINOL, PREPARATION OF SAME AND COSMETIC USES THEREOF PIERRE FABRE DERMO-COSMETIQUE (FR) 2012-02-09 US claimed
WO-2010115945-A1 SULPHURATED DERIVATIVES OF RESORCINOL, PREPARATION OF SAME AND COSMETIC USES THEREOF PIERRE FABRE DERMO-COSMETIQUE (FR) 2010-10-14 WO claimed
US-8859819-B2 Sulphurated derivatives of resorcinol, preparation of same and cosmetic uses thereof PIERRE FABRE DERMO-COSMETIQUE (FR) 2014-10-14 US disclosed
US-8859819-B2 Sulphurated derivatives of resorcinol, preparation of same and cosmetic uses thereof PIERRE FABRE DERMO-COSMETIQUE (FR) 2014-10-14 US disclosed
US-8859819-B2 Sulphurated derivatives of resorcinol, preparation of same and cosmetic uses thereof PIERRE FABRE DERMO-COSMETIQUE (FR) 2014-10-14 US disclosed
EP-2417104-A1 SULPHURATED DERIVATIVES OF RESORCINOL, PREPARATION OF SAME AND COSMETIC USES THEREOF Pierre Fabre Dermo-Cosmétique (FR) 2012-02-15 EP disclosed
US-20120034176-A1 SULPHURATED DERIVATIVES OF RESORCINOL, PREPARATION OF SAME AND COSMETIC USES THEREOF PIERRE FABRE DERMO-COSMETIQUE (FR) 2012-02-09 US disclosed
US-20120034176-A1 SULPHURATED DERIVATIVES OF RESORCINOL, PREPARATION OF SAME AND COSMETIC USES THEREOF PIERRE FABRE DERMO-COSMETIQUE (FR) 2012-02-09 US disclosed
US-20120034176-A1 SULPHURATED DERIVATIVES OF RESORCINOL, PREPARATION OF SAME AND COSMETIC USES THEREOF PIERRE FABRE DERMO-COSMETIQUE (FR) 2012-02-09 US disclosed
WO-2010115945-A1 SULPHURATED DERIVATIVES OF RESORCINOL, PREPARATION OF SAME AND COSMETIC USES THEREOF PIERRE FABRE DERMO-COSMETIQUE (FR) 2010-10-14 WO disclosed
WO-2010115945-A1 SULPHURATED DERIVATIVES OF RESORCINOL, PREPARATION OF SAME AND COSMETIC USES THEREOF PIERRE FABRE DERMO-COSMETIQUE (FR) 2010-10-14 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-20120034176-A1 SULPHURATED DERIVATIVES OF RESORCINOL, PREPARATION OF SAME AND COSMETIC USES THEREOF CBR3, ACSL3, MSRB3 NR5A1 704/4885LTA4H 1176/4885MEN1 2548/4885

“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.