SCHEMBL562846

SCHEMBL562846

CCCCCCCCCCOc1cc(O)ccc1S(=O)(=O)c1ccc(O)cc1O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.45
CNR2 P34972 10/20 0.44
CNR1 P21554 8/20 0.44
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX5 P09917 1/20 0.43
MAPT P10636 1/20 0.43
TYR P14679 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMPD1 P17405 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
S1PR3 Q99500 1/20 0.42
PGAM1 P18669 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
SCHEMBL11329254 0.78 SMPD1 (0.60) NR5A1CNR2CNR1MEN1TP53
SCHEMBL28095186 0.78 NR5A1 (0.58) NR5A1CNR2CNR1MEN1TP53
SCHEMBL14557522 0.78 SMPD1 (0.60) NR5A1CNR2CNR1MEN1TP53
SCHEMBL7068652 0.78 TRPV4 (0.45) MAPTTSHRHTTTDP1
SCHEMBL30528065 0.76 SMPD1 (0.57) NR5A1CNR2CNR1MEN1TP53
SCHEMBL1405908 0.76 SMPD1 (0.57) NR5A1CNR2CNR1MEN1TP53
SCHEMBL19433097 0.76 NR5A1 (0.55) NR5A1CNR2MEN1TP53CYP3A4
SCHEMBL9698493 0.76 NR5A1 (0.51) NR5A1CNR2CNR1HTTCYSLTR2
SCHEMBL10600672 0.75 CYP1A2 (0.43) ALOX5
SCHEMBL27639403 0.74 TRPV1 (0.49) MEN1TP53CYP3A4ALOX5MAPT

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 12 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

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 704/4885CNR2 1629/4885CNR1 1386/4885

“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.