SCHEMBL562871

SCHEMBL562871

CCCCCCCCCCOc1cc(O)ccc1Sc1ccc(O)cc1O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.49
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX5 P09917 1/20 0.46
MAPT P10636 1/20 0.46
TYR P14679 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYSLTR2 Q9NS75 1/20 0.45
CYSLTR1 Q9Y271 1/20 0.45
ESR1 P03372 2/20 0.45
CNR2 P34972 9/20 0.44
CNR1 P21554 8/20 0.44
LTA4H P09960 1/20 0.43
SMPD1 P17405 1/20 0.43

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
SCHEMBL563529 1.00 NR5A1 (0.49) NR5A1MEN1TP53CYP3A4ALOX5
SCHEMBL561835 1.00 NR5A1 (0.49) NR5A1MEN1TP53CYP3A4ALOX5
SCHEMBL563355 0.95 NR5A1 (0.46) NR5A1MEN1TP53CYP3A4ALOX5
SCHEMBL562553 0.87 NR5A1 (0.63) NR5A1MEN1TP53CYP3A4ALOX5
SCHEMBL562795 0.83 NR5A1 (0.57) NR5A1MEN1TP53CYP3A4ALOX5
SCHEMBL11329254 0.81 SMPD1 (0.60) NR5A1MEN1TP53CYP3A4ALOX5
SCHEMBL28095186 0.81 NR5A1 (0.58) NR5A1MEN1TP53CYP3A4ALOX5
SCHEMBL14557522 0.81 SMPD1 (0.60) NR5A1MEN1TP53CYP3A4ALOX5
SCHEMBL563127 0.80 HTT (0.48) ALOX15HTTCYSLTR2CYSLTR1CNR2
SCHEMBL562525 0.80 HTT (0.48) ALOX15HTTCYSLTR2CYSLTR1CNR2

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 704/4885MEN1 2548/4885TP53 2524/4885

“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.