SCHEMBL8514613

SCHEMBL8514613

CC(C)(C)c1cc(Cc2cc(C(C)(C)C)c([O])c(C(C)(C)C)c2)cc(C(C)(C)C)c1[O]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.41
ALDH1A1 P00352 7/20 0.39
MAPT P10636 4/20 0.39
TSHR P16473 3/20 0.39
CYP1A2 P05177 3/20 0.39
MAPK1 P28482 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HIF1A Q16665 3/20 0.39
CYP3A4 P08684 2/20 0.39
BLM P54132 2/20 0.39
ATM Q13315 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
USP2 O75604 1/20 0.39
CYP2D6 P10635 1/20 0.39
GAA P10253 3/20 0.39
LMNA P02545 2/20 0.39
ALOX15 P16050 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38

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
SCHEMBL2177579 0.82 HSPA5 (0.53) HSPA5ALDH1A1MAPTTSHRCYP1A2
SCHEMBL2298328 0.80 ALDH1A1 (0.44) HSPA5ALDH1A1MAPTTSHRCYP1A2
SCHEMBL39559 0.77 ALDH1A1 (0.63) HSPA5ALDH1A1MAPTTSHRCYP1A2
SCHEMBL11853280 0.77 HSPA5 (0.39) HSPA5ALDH1A1MAPTTSHRCYP1A2
SCHEMBL941426 0.77 DHFR (0.41) HSPA5ALDH1A1MAPTTSHRCYP1A2
SCHEMBL23808942 0.77 ALDH1A1 (0.39) HSPA5ALDH1A1MAPTTSHRCYP1A2
SCHEMBL17627802 0.77 ALDH1A1 (0.43) HSPA5ALDH1A1MAPTTSHRCYP1A2
SCHEMBL526641 0.75 ALDH1A1 (0.61) HSPA5ALDH1A1MAPTTSHRCYP1A2
Benzene SCHEMBL9807217 0.73 ALDH1A1 (0.59) HSPA5ALDH1A1MAPTTSHRCYP1A2
SCHEMBL434782 0.72 ALDH1A1 (0.59) HSPA5ALDH1A1MAPTTSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2841471-B1 ACTIVATOR COMPOSITIONS, THEIR PREPARATION, AND THEIR USE IN CATALYSTS GRACE W R & CO (US) 2020-05-06 EP disclosed
US-20190153135-A1 Activator Compositions, Their Preparation, And Their Use In Catalysts GRACE W R & CO (US) 2019-05-23 US disclosed
US-10221264-B2 Activator compositions, their preparation, and their use in catalysts W. R. GRACE & CO.-CONN. (US) 2019-03-05 US disclosed
US-20150105238-A1 ACTIVATOR COMPOSITIONS, THEIR PREPARATION, AND THEIR USE IN CATALYSTS W. R. GRACE & CO.-CONN. 2015-04-16 US disclosed
EP-2643366-B1 ACTIVATOR COMPOSITIONS, THEIR PREPARATION, AND THEIR USE IN CATALYSIS ALBEMARLE CORP (US) 2015-03-25 EP disclosed
EP-2841471-A1 ACTIVATOR COMPOSITIONS, THEIR PREPARATION, AND THEIR USE IN CATALYSTS Albemarle Corporation (US) 2015-03-04 EP disclosed
US-8895465-B2 Activator compositions, their preparation, and their use in catalysis ALBEMARLE CORPORATION (US) 2014-11-25 US disclosed
WO-2013162745-A1 ACTIVATOR COMPOSITIONS, THEIR PREPARATION, AND THEIR USE IN CATALYSTS ALBEMARLE CORPORATION (US) 2013-10-31 WO disclosed
EP-2643366-A2 ACTIVATOR COMPOSITIONS, THEIR PREPARATION, AND THEIR USE IN CATALYSIS Albemarle Corporation (US) 2013-10-02 EP disclosed
US-20130253155-A1 Activator Compositions, Their Preparation, and Their Use In Catalysis ALBEMARIE CORPORATION (US) 2013-09-26 US disclosed
WO-2012071205-A2 ACTIVATOR COMPOSITIONS, THEIR PREPARATION, AND THEIR USE IN CATALYSIS ALBEMARLE CORPORATION (US) 2012-05-31 WO disclosed