SCHEMBL70011

SCHEMBL70011

COC(=O)c1cc(Cl)c(C(=O)OC)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
ABL1 P00519 1/20 0.52
LMNA P02545 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTT P42858 2/20 0.49
TSHR P16473 2/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
PDK2 Q15119 1/20 0.47
PDK4 Q16654 1/20 0.47
KDM4E B2RXH2 2/20 0.45

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
SCHEMBL19328690 0.95 GAA (0.55) GAAABL1LMNAMEN1KMT2A
SCHEMBL71501 0.93 GAA (0.52) GAAABL1LMNAMEN1KMT2A
SCHEMBL11222239 0.91 GAA (0.51) GAAABL1LMNAMEN1KMT2A
SCHEMBL1953848 0.90 GAA (0.58) GAAABL1LMNAMEN1KMT2A
SCHEMBL2650105 0.89 GAA (0.50) GAAABL1LMNAMEN1KMT2A
SCHEMBL7863946 0.89 GAA (0.50) GAAABL1LMNAMEN1KMT2A
SCHEMBL19328721 0.88 GAA (0.72) GAAABL1LMNAMEN1KMT2A
SCHEMBL11317879 0.88 GAA (0.72) GAALMNAMEN1KMT2ASMN1; SMN2
SCHEMBL2897626 0.88 GAA (0.62) GAAABL1LMNAMEN1KMT2A
SCHEMBL8378560 0.88 GAA (0.49) GAAABL1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-60016952-A None JP disclosed
CN-101356146-B Process for preparing halogen substituted benzenedimethanol SUMITOMO CO LTD 2013-01-02 CN disclosed
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
EP-2415741-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-02-08 EP disclosed
EP-2415742-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR Sumitomo Chemical Company, Limited (JP) 2012-02-08 EP disclosed
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 US disclosed
US-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-12 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US disclosed
CN-1048820-A Reiceiver sheet ICI PLC (GB) 1991-01-30 CN disclosed
US-4544936-A GLUOTSN VOLOT GOTMRTD; HIGH WHITENESS, LESS FOGGING AND FADING FUJI XEROX CO., LTD. (JP) 1985-10-01 US disclosed
JP-S6016952-A PRODUCTION OF AROMATIC CARBOXYLIC ACID ESTER TOKUYAMA SODA CO LTD 1985-01-28 JP disclosed
US-4339601-A DECARBOXYLATION, DIMETHYL SULFOXIDE, DIMETHYLFORMAMIDE UNION CARBIDE CORPORATION (US) 1982-07-13 US disclosed
US-4297503-A CHEMICAL INTERMEDIATE FOR METOCLOPRAMIDE ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1981-10-27 US disclosed
US-4279836-A Hydroxamic acid derivative and method of preparing metoclopramide using same ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1981-07-21 US disclosed
US-4252979-A 2,5-DICHLORO-3-NITRO, HERBICIDES AMCHEM PRODUCTS INC. (US) 1981-02-24 US disclosed
US-4250110-A FROM 2-CHLORO-4-N-(B-DIETHYLAMINOETHYL)AMINOCARBONYL-5-METHOXY-BENZAMIDE ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1981-02-10 US disclosed
US-4101528-A FLAME RETARDANT AVTEX FIBERS INC. (US) 1978-07-18 US disclosed
US-4059546-A Textile fiber blend comprising cellulosic fibers and ethylene 2,6-naphthalene dicarboxylate-halogenated comonomers copolyester fibers AVTEX FIBERS INC. (US) 1977-11-22 US 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 (3 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-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 GAA 1423/4885ABL1 2606/4885LMNA 2207/4885
US-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 GAA 4427/4885ABL1 749/4885LMNA 3279/4885
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR ADH1A, ADH1C, ADH5 GAA 3855/4885ABL1 2049/4885LMNA 4306/4885

“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.