SCHEMBL3687015

SCHEMBL3687015

Cc1cc(C=O)c(C=O)cc1C=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.52
GRIA2 P42262 1/20 0.52
GRIA3 P42263 1/20 0.52
GRIA4 P48058 1/20 0.52
ALDH1A1 P00352 8/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
TSHR P16473 2/20 0.46
ERN1 O75460 3/20 0.44
KCNJ1 P48048 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36

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
SCHEMBL2884919 0.94 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL18128766 0.91 GRIA1 (0.54) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL97117 0.88 GRIA1 (0.52) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL23181289 0.88 ALDH1A1 (0.44) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL446933 0.88 ALDH1A1 (0.50) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL30600409 0.88 ALDH1A1 (0.50) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL28667904 0.81 ALDH1A1 (0.47) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL24383847 0.81 ALDH1A1 (0.47) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL1489158 0.80 TDP1 (0.50) ALDH1A1TSHRERN1TDP1KDM4E
SCHEMBL10616671 0.79 TDP1 (0.46) GRIA1GRIA2GRIA3GRIA4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696387-B2 Method for preparing catalyst for partial oxidation of methylbenzenes LG CHEM, LTD. (KR) 2010-04-13 US disclosed
US-7538253-B2 Method for preparing catalyst for partial oxidation of methylbenzenes LG CHEM LTD. (KR) 2009-05-26 US disclosed
US-7429682-B2 Catalyst for partial oxidation of methylbenzenes, method for preparing the same, and method for producing aromatic aldehydes using the same LG CHEM, LTD. (KR) 2008-09-30 US disclosed
WO-2008075901-A1 METHOD FOR PREPARING CATALYST FOR PARTIAL OXIDATION OF METHYLBENZENES LG CHEM, LTD. (KR) 2008-06-26 WO disclosed
WO-2008010629-A1 CATALYST FOR PARTIAL OXIDATION OF METHYLBENZENES, METHOD FOR PREPARING THE SAME, AND METHOD FOR PRODUCING AROMATIC ALDEHYDES USING THE SAME LG CHEM, LTD. (KR) 2008-01-24 WO disclosed
US-20080021248-A1 Catalyst for partial oxidation of methylbenzenes, method for preparing the same, and method for producing aromatic aldehydes using the same LG CHEM, LTD. (KR) 2008-01-24 US disclosed
WO-2007061209-A1 METHOD FOR PREPARING CATALYST FOR PARTIAL OXIDATION OF METHYLBENZENES LG CHEM, LTD. (KR) 2007-05-31 WO disclosed
US-20070117717-A1 Method for preparing catalyst for partial oxidation of methylbenzenes LG CHEM, LTD. (KR) 2007-05-24 US disclosed
US-20060281632-A1 Method for preparing catalyst for partial oxidation of methylbenzenes LG CHEM, LTD. (KR) 2006-12-14 US disclosed
WO-2006123886-A1 METHOD FOR PREPARING CATALYST FOR PARTIAL OXIDATION OF METHYLBENZENES LG CHEM, LTD. (KR) 2006-11-23 WO disclosed
WO-2006080753-A1 CATALYST FOR PARTIAL OXIDATION OF METHYLBENZENES AND METHOD FOR PRODUCING AROMATIC ALDEHYDES USING THE SAME LG CHEM, LTD. (KR) 2006-08-03 WO disclosed
US-20060094906-A1 Catalyst for partial oxidation of methylbenzenes and method for producing aromatic aldehydes using the same LG CHEM, LTD. (KR) 2006-05-04 US disclosed
EP-1099475-B1 Method for producing aromatic aldehyde by catalytic gaseous phase oxidation of methylbenzene NIPPON CATALYTIC CHEM IND (JP) 2006-02-08 EP disclosed
US-20020188159-A1 Oxidization catalyst for alkylbenzene and method for producing aromatic aldehyde NIPPON SHOKUBAI CO., LTD. 2002-12-12 US disclosed
EP-1245277-A1 Catalyst for the oxidation of alkylbenzenes to aromatic aldehydes Nippon Shokubau Co.,Ltd. (JP) 2002-10-02 EP disclosed
US-6458737-B1 WHICH IS USED FOR THE PRODUCTION OF THE CORRESPONDING AROMATIC ALDEHYDE BY THE GAS-PHASE OXIDATION OF A METHYLBENZENE IN THE PRESENCE OF MOLECULAR OXYGEN WITH METAL OXIDE CATALYST NIPPON SHOKUBAI CO., LTD. (JP) 2002-10-01 US disclosed
EP-1099475-A1 Catalyst for oxidizing methylbenzene and method for producing aromatic aldehyde Nippon Shokubai Co., Ltd. (JP) 2001-05-16 EP disclosed