SCHEMBL563313

SCHEMBL563313

O=C(CCc1ccccc1)Oc1cc(O)ccc1Sc1ccc(O)cc1O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ SLC5A1 P13866 1/20 0.45
▸ SLC5A2 P31639 1/20 0.45
▸ AKR1C3 P42330 8/20 0.44
▸ AKR1C4 P17516 1/20 0.44
▸ AKR1C1 Q04828 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ ALOX5 P09917 2/20 0.42
▸ APP P05067 1/20 0.42
▸ GFER P55789 1/20 0.41
▸ CBS P35520 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ AKR1C2 P52895 1/20 0.39

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
SCHEMBL563359 0.89 KMT2A (0.51) GAAMAPTSLC5A1SLC5A2AKR1C3
SCHEMBL563127 0.79 HTT (0.48) —
SCHEMBL562525 0.79 HTT (0.48) —
SCHEMBL563157 0.79 HTT (0.48) —
SCHEMBL563041 0.77 LMNA (0.45) GAAMAPTTDP1ALOX5GFER
SCHEMBL562414 0.76 ALOX15 (0.43) GAAGFER
SCHEMBL457058 0.76 SLC5A1 (0.52) GAAMAPTSLC5A1SLC5A2AKR1C3
SCHEMBL29011740 0.74 SLC5A1 (0.59) GAAMAPTSLC5A1SLC5A2AKR1C3
SCHEMBL28994753 0.73 TDP1 (0.62) GAAMAPTSLC5A1SLC5A2AKR1C3
SCHEMBL562485 0.71 ELANE (0.48) MAPTAKR1C3TDP1

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 GAA 1074/4885MAPT 4664/4885SLC5A1 3493/4885

“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.

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