SCHEMBL547673

SCHEMBL547673

O=C(O)C(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.63
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
CHRNB2 P17787 4/20 0.55
CHRNB4 P30926 4/20 0.55
CHRNA3 P32297 4/20 0.55
CHRNA4 P43681 4/20 0.55
HNF4A P41235 1/20 0.53
TSHR P16473 1/20 0.52
RECQL P46063 1/20 0.52
FABP3 P05413 1/20 0.48
FABP4 P15090 1/20 0.48
FABP5 Q01469 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HTT P42858 1/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL3806467 0.91 BCAT2 (0.68) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL8562483 0.86 KMT2A (0.49) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL29144695 0.83 BCAT2 (0.70) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL27676197 0.83 BCAT2 (0.59) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL998326 0.83 BCAT2 (0.59) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL30277841 0.83 BCAT2 (0.59) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL14781165 0.83 BCAT2 (0.59) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL11073789 0.82 BCAT2 (0.63) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL11073782 0.82 BCAT2 (0.63) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL8559834 0.82 CES2 (0.51) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2080750-B1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2020-07-29 EP claimed
CN-112135862-B Composition for improving the adhesion of textile materials and related reinforced textile materials 博舍工业公司 2022-06-03 CN disclosed
CN-112135862-A Composition for improving the adhesion of textile materials and related reinforced textile materials 博舍工业公司 2020-12-25 CN disclosed
EP-2080750-B1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2020-07-29 EP disclosed
US-9897913-B2 Radiation-sensitive composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-02-20 US disclosed
US-20150030980-A1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2015-01-29 US disclosed
US-8846292-B2 Radiation-sensitive composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-09-30 US disclosed
US-20120171379-A1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-07-05 US disclosed
US-8110334-B2 Radiation-sensitive composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-02-07 US disclosed
JP-2011057636-A METHOD FOR PRODUCING ANTHRAQUINONE DERIVATIVE TOSOH CORP 2011-03-24 JP disclosed
EP-2080750-A1 RADIATION-SENSITIVE COMPOSITION Mitsubishi Gas Chemical Company, Inc. (JP) 2009-07-22 EP disclosed
US-7163952-B2 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2007-01-16 US disclosed
US-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-06-08 US disclosed
EP-1553091-A1 HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-07-13 EP disclosed
US-20050065196-A1 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-24 US disclosed
EP-1452530-A1 AZOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 EP disclosed
WO-2000053313-A2 LANTHANIDE CATALYSTS FOR SYNTHESIS OF COMPOUNDS AND COMBINATORIAL LIBRARIES ARQULE, INC. (US) 2000-09-14 WO disclosed
US-4501592-A Anthraquinone dyes, process for their preparation, and use thereof CIBA-GEIGY CORPORATION (US) 1985-02-26 US disclosed
US-3969401-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC WILLIAM H. RORER, INC. (US) 1976-07-13 US disclosed
US-3941821-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETICS WILLIAM H. RORER, INC. (US) 1976-03-02 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-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof PTPN11, PTPN1, PTPN3 BCAT2 3637/4885MEN1 4550/4885KMT2A 3203/4885
US-20050065196-A1 Azole compound and medicinal use thereof PTPN7, PTPN1, PTPN5 BCAT2 2092/4885MEN1 3299/4885KMT2A 2589/4885
US-20120171379-A1 RADIATION-SENSITIVE COMPOSITION PARG, RAD51, SRMS BCAT2 3588/4885MEN1 1441/4885KMT2A 1479/4885

“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.