SCHEMBL563129

SCHEMBL563129

CCCCCCCC(=O)Oc1ccc(Sc2ccc(O)cc2O)c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
CA2 P00918 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 1/20 0.47
HTR1A P08908 1/20 0.44
HTR1B P28222 1/20 0.44
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
CNR2 P34972 2/20 0.42
HSD17B3 P37058 2/20 0.42

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
SCHEMBL563157 0.88 HTT (0.48) HTTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL563127 0.88 HTT (0.48) HTTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL562525 0.88 HTT (0.48) HTTSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL9342696 0.83 KMT2A (0.51) HTTCA2KMT2ASMN1; SMN2HTR1A
SCHEMBL28658540 0.83 KMT2A (0.53) CA2KMT2ASMN1; SMN2HTR1AHTR1B
SCHEMBL28655064 0.83 KMT2A (0.53) CA2KMT2ASMN1; SMN2HTR1AHTR1B
SCHEMBL22471860 0.83 KMT2A (0.53) CA2KMT2ASMN1; SMN2HTR1AHTR1B
SCHEMBL22471807 0.83 KMT2A (0.53) CA2KMT2ASMN1; SMN2HTR1AHTR1B
SCHEMBL28929748 0.83 KMT2A (0.53) CA2KMT2ASMN1; SMN2HTR1AHTR1B
SCHEMBL28663944 0.83 KMT2A (0.53) CA2KMT2ASMN1; SMN2HTR1AHTR1B

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
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 HTT 2325/4885CA2 3387/4885KMT2A 4028/4885

“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.