SCHEMBL1156950

SCHEMBL1156950

CC(C)Cc1ccccc1-c1ccccc1OC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
PTGER1 P34995 2/20 0.41
PTGER4 P35408 2/20 0.41
PTGER3 P43115 2/20 0.41
PTGER2 P43116 2/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
ELANE P08246 1/20 0.39
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
KCNA5 P22460 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
PLA2G2F Q9BZM2 1/20 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
SCHEMBL1156947 0.89 CTSS (0.43) KMT2ACTSSCTSKPTGER1PTGER4
SCHEMBL28396369 0.87 GABRA1 (0.46) KMT2AGABRA1GABRB2HPGDHTT
SCHEMBL15229364 0.79 PPARA (0.44) KMT2ACTSSCTSKELANEKDM4E
SCHEMBL248040 0.79 GABRA1 (0.46) PTGER1PTGER4PTGER3PTGER2GABRA1
SCHEMBL7017642 0.79 FABP3 (0.44) KMT2AHPGDKDM4EALDH1A1HSD17B10
SCHEMBL1156949 0.79 GABRA1 (0.42) KMT2APTGER1PTGER4PTGER3PTGER2
SCHEMBL237801 0.79 PPARA (0.49) HTTAKR1C3AKR1C2
SCHEMBL5697852 0.79 DPP4 (0.48) KMT2APTGER1PTGER4PTGER3PTGER2
Butane SCHEMBL1960365 0.78 KDM4E (0.44) KMT2APTGER1ELANEHPGDKDM4E
SCHEMBL197723 0.77 GABRA1 (0.56) KMT2ACTSSCTSKGABRA1GABRB2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6734278-B2 MELT ESTER INTERCHANGE BAYER AKTIENGESELLSCHAFT (DE) 2004-05-11 US claimed
US-20030139564-A1 Production of polyester carbonates BAYER AKTIENGESELLSCHAFT (DE) 2003-07-24 US claimed
CN-107207845-B Copolycarbonate compositions comprising PE-waxes with improved processability 科思创德国股份有限公司 2021-03-12 CN disclosed
CN-109153776-B Copolycarbonate as support material in 3D printing 科思创德国股份有限公司 2021-03-12 CN disclosed
CN-107207846-B Copolycarbonate compositions comprising diglyceride with improved rheological and optical properties 科思创德国股份有限公司 2020-05-19 CN disclosed
US-20120231278-A1 POLYCARBONATE COMPOSITION HAVING IMPROVED FLAME RESISTANCE FOR EXTRUSION APPLICATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-09-13 US disclosed
US-8044122-B2 Polycarbonate composition containing UV absorber BAYER MATERIALSCIENCE AG (DE) 2011-10-25 US disclosed
US-7879967-B2 End groups containing alkylsiloxane substituted phenol compounds ; extrusion; molding materials BAYER MATERIALSCIENCE AG (DE) 2011-02-01 US disclosed
US-20090258978-A1 POLYCARBONATE COMPOSITION CONTAINING UV ABSORBER BAYER MATERIALSCIENCE AG (DE) 2009-10-15 US disclosed
US-20090137709-A1 POLYOL-CONTAINING, FLAME-RESISTANT POLYCARBONATES, PROCESSES FOR PREPARING THE SAME AND PRODUCTS CONTAINING THE SAME BAYER MATERIALSCIENCE AG (DE) 2009-05-28 US disclosed
US-20080249234-A1 Modified Polycarbonates, Polyester Carbonates and Polyesters Having Improved Elongation Behaviour and Flame Resistance BAYER MATERIALSCIENCE AG (DE) 2008-10-09 US disclosed
US-6767986-B2 A LOW MOLECULAR WEIGHT ALIPHATIC POLYCARBONATE IS PREPARED AND A SECOND STAGE WHERE THE LOW MOLECULAR WEIGHT ALIPHATIC POLYCARBONATE IS CONDENSED WITH DIARYL CARBONATE IN A MELT TRANSESTERIFICATION PROCESS BAYER AKTIENGESELLSCHAFT (DE) 2004-07-27 US disclosed
US-20040143088-A1 Method for producing polycarbonates COVESTRO DEUTSCHLAND AG (DE) 2004-07-22 US disclosed
US-6734278-B2 MELT ESTER INTERCHANGE BAYER AKTIENGESELLSCHAFT (DE) 2004-05-11 US disclosed
US-20040030090-A1 Polycarbonates, polyester carbonates and polyesters with special branched terminal groups BAYER AKTIENGESELLSCHAFT (DE) 2004-02-12 US disclosed
US-6646099-B2 Production and use of polyester carbonates BAYER AKTIENGESELLSCHAFT (DE) 2003-11-11 US disclosed
US-20030204042-A1 Production and use of high molecular weight aliphatic polycarbonates BAYER AKTIENGESELLSCHAFT (DE) 2003-10-30 US disclosed
US-20030139564-A1 Production of polyester carbonates BAYER AKTIENGESELLSCHAFT (DE) 2003-07-24 US disclosed
US-20030105272-A1 Production and use of polyester carbonates BAYER AKTIENGESELLSCHAFT (DE) 2003-06-05 US disclosed
US-20020177684-A1 Process for producing polycarbonates BAYER AKTIENGESELLSCHAFT (DE) 2002-11-28 US disclosed