SCHEMBL4110876

SCHEMBL4110876

O=C1OC(=O)c2cc3c(cc21)OCO3

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
PTGS2 P35354 1/20 0.47
PKM P14618 2/20 0.46
TSHR P16473 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ACHE P22303 1/20 0.46
TDP1 Q9NUW8 2/20 0.42
ALOX15 P16050 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
PTPRC P08575 1/20 0.42
CMA1 P23946 2/20 0.41
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
TYMS P04818 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
CDK2 P24941 1/20 0.37
DYRK1A Q13627 1/20 0.37

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
SCHEMBL11658971 0.85 LMNA (0.43) ALOX5TSHRKDM4ETDP1ALOX15
SCHEMBL7283744 0.78 KDM4E (0.53) PKMTSHRKDM4EACHECMA1
SCHEMBL1134704 0.78 CYP3A4 (0.48) PTGS2PKMTSHRKDM4EACHE
SCHEMBL3904370 0.77 PKM (0.54) PTGS2PKMTSHRKDM4EACHE
SCHEMBL12341987 0.75 KDM4E (0.50) PKMTSHRKDM4EACHETDP1
SCHEMBL20963316 0.75 CYP2D6 (0.47) PKMTSHRKDM4EACHETDP1
SCHEMBL3993249 0.74 TDP1 (0.59) TSHRKDM4ETDP1ALOX15KMT2A
SCHEMBL6200324 0.73 CYP3A4 (0.52) ALOX5PKMTSHRKDM4EACHE
SCHEMBL29828749 0.72 CDK2 (0.37) ALOX5PTGS2PKMTSHRKDM4E
SCHEMBL1664813 0.72 PTPRC (0.65) PKMTSHRKDM4ETDP1ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1566378-B1 ISOINDOLINE DERIVATIVE MARUISHI PHARMA (JP) 2012-08-15 EP disclosed
US-20110263540-A1 SMALL-MOLECULE INHIBITORS OF PROTEIN SYNTHESIS INACTIVATING TOXINS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2011-10-27 US disclosed
US-20110263540-A1 SMALL-MOLECULE INHIBITORS OF PROTEIN SYNTHESIS INACTIVATING TOXINS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2011-10-27 US disclosed
CN-100548980-C The isoindoline derivative MARUISHI PHARMA (JP) 2009-10-14 CN disclosed
US-20090170835-A1 ISOINDOLINE DERIVATIVES MARUISHI PHARMACEUTICAL CO., LTD. 2009-07-02 US disclosed
US-7521451-B2 Isoindoline derivative MARUISHI PHARMACEUTICAL CO., LTD. (JP) 2009-04-21 US disclosed
US-20080021042-A1 Composition For Controlling Neuropathic Pain MARUISHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 US disclosed
CN-1956955-A Neuropathic pain controlling agent composition MARUISHI PHARMA (JP) 2007-05-02 CN disclosed
EP-1749817-A1 NEUROGENIC PAIN CONTROL AGENT COMPOSITION Maruishi Pharmaceutical Co., Ltd. (JP) 2007-02-07 EP disclosed
US-20060052392-A1 e.g. 5,6-dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;intravenous, water-soluble compounds useful for manufacturing an anasthetic, sedative agents; side effect reduction MARUISHI PHARMACEUTICAL CO., LTD 2006-03-09 US disclosed
EP-0248423-B1 PROCESS OR THE ACYLATION OF AROMATIC COMPOUNDS BASF Aktiengesellschaft (DE) 1989-08-30 EP disclosed
EP-0248423-A1 Process or the acylation of aromatic compounds BASF Aktiengesellschaft (DE) 1987-12-09 EP disclosed
EP-0198522-A1 Heterocyclic herbicides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1986-10-22 EP disclosed
EP-0198583-A1 Heterocyclic compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-10-22 EP disclosed
US-4393062-A ALDOSE REDUCTASE INHIBITOR IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-07-12 US disclosed
EP-0002895-B1 ENZYME INHIBITORY PHTHALAZIN-4-YLACETIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND PROCESS FOR THEIR MANUFACTURE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-10-14 EP disclosed
US-4251528-A ALDOSE REDUCTASE INHIBITORS USEFUL IN DIABETES, GALACTOSEMIA IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-02-17 US disclosed
EP-0002895-A1 Enzyme inhibitory phthalazin-4-ylacetic acid derivatives, pharmaceutical compositions thereof, and process for their manufacture IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-07-11 EP disclosed
US-4087541-A REDUCING HEART RATE BOEHRINGER INGELHEIM GMBH (DT) 1978-05-02 US disclosed
US-4038407-A HEART RATE SLOWING DRUGS BOEHRINGER INGELHEIM GMBH (DT) 1977-07-26 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 (4 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-20060052392-A1 e.g. 5,6-dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;intravenous, water-soluble compounds useful for manufacturing an anasthetic, sedative agents; side effect reduction CYP3A5, OPRD1, CYP3A7 ALOX5 695/4885PTGS2 889/4885PKM 2396/4885
US-20110263540-A1 SMALL-MOLECULE INHIBITORS OF PROTEIN SYNTHESIS INACTIVATING TOXINS MRPS27, MRPS22, MRPS23 ALOX5 4033/4885PTGS2 2966/4885PKM 4276/4885
US-20080021042-A1 Composition For Controlling Neuropathic Pain GAP43, SCN10A, SCN2A ALOX5 1210/4885PTGS2 336/4885PKM 1548/4885
US-20090170835-A1 ISOINDOLINE DERIVATIVES OPRD1, OPRK1, OPRL1 ALOX5 1641/4885PTGS2 351/4885PKM 2227/4885

“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.