SCHEMBL1603012

SCHEMBL1603012

CC(C)CCCOC(=O)C(C)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.42
PTPN1 P18031 1/20 0.35
CA1 P00915 3/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RARB P10826 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
LMNA P02545 1/20 0.33
ACHE P22303 1/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL3015275 0.93 BLM (0.41) BLMPTPN1CA1CA12CA2
SCHEMBL8371885 0.91 BLM (0.39) BLMRARBALDH1A1LMNA
SCHEMBL28668624 0.91 BLM (0.39) BLMRARBALDH1A1LMNA
SCHEMBL3008997 0.91 BLM (0.39) BLMRARBALDH1A1LMNA
SCHEMBL27719291 0.91 BLM (0.39) BLMRARBALDH1A1LMNA
SCHEMBL15264 0.91 BLM (0.39) BLMRARBALDH1A1LMNA
SCHEMBL29164384 0.90 BLM (0.38) BLMPTPN1RARBALDH1A1LMNA
SCHEMBL27579861 0.90 BLM (0.38) BLMPTPN1RARBALDH1A1LMNA
SCHEMBL15512289 0.86 ALDH1A1 (0.37) ALDH1A1
SCHEMBL28034 0.86 CA1 (0.46) BLMCA1CA12CA2CA9

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
WO-2022228652-A1 MEANS AND METHOD FOR TREATING VIRAL INFECTIONS BIRKENMEIER GERD (DE) 2022-11-03 WO disclosed
EP-1874407-B1 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AS ANTI-FUNGAL AGENTS BIOMAC PRIVATINSTITUT FÜR MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG ENTWICKLUNG UND DIAGNOSTIK GMB (DE) 2015-09-09 EP disclosed
US-8859001-B2 Fenoldopam formulations and pro-drug derivatives LEVITE MIA (IL) 2014-10-14 US disclosed
EP-1877141-B1 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AGAINST BACTERIA BIOMAC PRIVATINSTITUT FUER MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG ENTWICKLUNG UND DIAGNOSTIK GM (DE) 2013-06-12 EP disclosed
US-20110104287-A1 FENOLDOPAM FORMULATIONS AND PRO-DRUG DERIVATIVES LEVITE MIA 2011-05-05 US disclosed
US-7919113-B2 Microemulsion; increased stability; delivery system with high bioavailability of water insoluble substances YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2011-04-05 US disclosed
US-20100204161-A1 Substances and Pharmaceutical Compositions for the Inhibition of Glyoxalases and Their Use Against Bacteria BIOMAC PRIVATINSTITUT FUR MEDIZINISHE UND ZAHMEDIZ FORSCHUNG, ENTWICKLUNG UND DIAGNOSTIK GMBH (DE) 2010-08-12 US disclosed
WO-2009052491-A2 FENOLDOPAM FORMULATIONS AND PRODRUG DERIVATIVES GERAGHTY, ERIN (US) 2009-04-23 WO disclosed
EP-1095935-B1 6-Hydroxy-5,6-dihydrouracils as herbicides SUMITOMO CHEMICAL CO (JP) 2008-12-17 EP disclosed
US-20080300303-A1 Substances and Pharmaceutical Compositions for the Inhibition of Glyoxalases and Their Use As Anti-Fungal Agents BIOMAC PRIVATINSTITUT FUER MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG, ENTWICKLUNG UND DIAGNOSTIK GMBH (DE) 2008-12-04 US disclosed
EP-1874407-A2 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AS ANTI-FUNGAL AGENTS Biomac Privatinstitut für medizinische und Zahnmedizinische Forschung, Entwicklung und Diagnostik GmbH (DE) 2008-01-09 EP disclosed
WO-2006108679-A2 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE TO COMBAT CANCER BIOMAC PRIVATINSTITUT FÜR MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG, ENTWICKLUNG UND DIAGNOSTIK GMBH (DE) 2006-10-19 WO disclosed
WO-2006108682-A2 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AS ANTI-FUNGAL AGENTS BIOMAC PRIVATINSTITUT FÜR MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG, ENTWICKLUNG UND DIAGNOSTIK GMBH (DE) 2006-10-19 WO disclosed
WO-2006108680-A2 SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AGAINST PROTOZOA AND HELMINTHES BIOMAC PRIVATINSTITUT FÜR MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG, ENTWICKLUNG UND DIAGNOSTIK GMBH (DE) 2006-10-19 WO disclosed
EP-1101761-B1 Process for producing 3-phenyluracil compounds SUMITOMO CHEMICAL CO (JP) 2005-08-17 EP disclosed
US-20050158389-A1 Dispersible concentrate lipospheres for delivery of active agents YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM 2005-07-21 US disclosed
US-6410484-B1 ACTIVE MATERIAL; CONTROLLING WEEDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-25 US disclosed
US-6339155-B1 Process for producing 3-phenyluracil compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-15 US disclosed
EP-1101761-A2 Process for producing 3-phenyluracil compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-05-23 EP disclosed
EP-1095935-A1 6-Hydroxy-5,6-dihydrouracils as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-05-02 EP 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-20110104287-A1 FENOLDOPAM FORMULATIONS AND PRO-DRUG DERIVATIVES NAPEPLD, PNLIP, NPSR1 BLM 4354/4885PTPN1 2460/4885CA1 4869/4885
US-20080300303-A1 Substances and Pharmaceutical Compositions for the Inhibition of Glyoxalases and Their Use As Anti-Fungal Agents GLO1, G6PD, GRHPR BLM 3322/4885PTPN1 2171/4885CA1 545/4885
US-20100204161-A1 Substances and Pharmaceutical Compositions for the Inhibition of Glyoxalases and Their Use Against Bacteria GLO1, G6PD, GRHPR BLM 2027/4885PTPN1 1451/4885CA1 674/4885

“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.