SCHEMBL2201261

SCHEMBL2201261

O=C(OOC(=O)c1ccco1)c1ccco1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.62
CES1 P23141 1/20 0.62
KMT2A Q03164 11/20 0.62
PTPN1 P18031 2/20 0.56
ALDH1A1 P00352 3/20 0.55
HSD17B10 Q99714 3/20 0.55
PTPN2 P17706 1/20 0.55
PTPN6 P29350 1/20 0.55
PTPN11 Q06124 1/20 0.55
MEN1 O00255 1/20 0.54
POLB P06746 1/20 0.54
THRB P10828 1/20 0.54
APEX1 P27695 1/20 0.54
RECQL P46063 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
PKM P14618 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 1/20 0.50
PABPC1 P11940 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL896787 0.86 CES2 (0.62) CES2CES1KMT2APTPN1ALDH1A1
SCHEMBL29539458 0.85 KMT2A (0.49) CES2CES1KMT2APTPN1ALDH1A1
SCHEMBL30704995 0.84 KMT2A (0.51) CES2CES1KMT2APTPN1ALDH1A1
SCHEMBL6690863 0.84
SCHEMBL7897291 0.84
SCHEMBL29071849 0.82 KMT2A (0.50) CES2CES1KMT2APTPN1ALDH1A1
SCHEMBL13381577 0.82 KMT2A (0.75) CES2CES1KMT2AALDH1A1HSD17B10
SCHEMBL363937 0.82
SCHEMBL8931340 0.82
SCHEMBL17922016 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7740826-B2 Method for functionalizing carbon nanotubes utilizing peroxides WILLIAM MARSH RICE UNIVERSITY (US) 2010-06-22 US claimed
US-20090306427-A1 Chemical Functionalization of Carbon Nanotubes NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2009-12-10 US claimed
EP-1989143-A1 CHEMICAL FUNCTIONALIZATION OF CARBON NANOTUBES National Research Council of Canada (CA) 2008-11-12 EP claimed
WO-2007098578-A1 CHEMICAL FUNCTIONALIZATION OF CARBON NANOTUBES NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2007-09-07 WO claimed
US-20070098620-A1 Method for functionalizing carbon nanotubes utilizing peroxides WILLIAM MARSH RICE UNIVERSITY (US) 2007-05-03 US claimed
US-20040223900-A1 Method for functionalizing carbon nanotubes utilizing peroxides WILLIAM MARSH RICE UNIVERSITY (US) 2004-11-11 US claimed
US-11767395-B2 Polar functional non-aqueous acrylic dispersions SUN CHEMICAL CORPORATION (US) 2023-09-26 US disclosed
CN-107531659-A Process for producing furan compound and furfural composition 三菱化学株式会社 2018-01-02 CN disclosed
US-20170184535-A1 CONDUCTING POLYMERS FOR DIRECT SENSING OF METAL IONS UNIV TEXAS (US) 2017-06-29 US disclosed
WO-2015142821-A9 CONDUCTING POLYMERS FOR DIRECT SENSING OF METAL IONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-12-10 WO disclosed
WO-2015142821-A1 CONDUCTING POLYMERS FOR DIRECT SENSING OF METAL IONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-09-24 WO disclosed
US-7976816-B2 Method for functionalizating carbon naontubes utilizing peroxides WILLIAM MARSH RICE UNIVERSITY (US) 2011-07-12 US disclosed
US-20100222536-A1 Method for Functionalizating Carbon Naontubes Utilizing Peroxides WILLIAM MARSH RICE UNIVERSITY (US) 2010-09-02 US disclosed
EP-0694579-A2 Stable, aqueous epoxy resin dispersion, method for its preparation and its use HOECHST AKTIENGESELLSCHAFT (DE) 1996-01-31 EP disclosed
EP-0639593-A1 Aqueous modified epoxy resin dispersions HOECHST AKTIENGESELLSCHAFT (DE) 1995-02-22 EP disclosed
US-4273881-A TRIMETHYLOLPROPANE, MONO- OR DI-METHYLPHOSPHONATE BASF WYANDOTTE CORPORATION (US) 1981-06-16 US disclosed
US-4260548-A INCREMENTAL ADDITION OF FREE RADICAL CATALYST PRINCETON POLYMER LABORATORIES (US) 1981-04-07 US disclosed
EP-0010582-A2 Graft polyester products, method of sizing yarns therewith and a synthetic fiber sized with such graft polyester products BASF WYANDOTTE CORPORATION (US) 1980-05-14 EP disclosed
US-4021384-A Infused polymer containing polyols and polyurethane compositions based thereon TEXACO DEVELOPMENT CORPORATION (US) 1977-05-03 US disclosed
US-4021383-A Infused polymer containing monohydric compounds and polyurethane compositions based thereon TEXACO DEVELOPMENT CORPORATION (US) 1977-05-03 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 (1 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-20170184535-A1 CONDUCTING POLYMERS FOR DIRECT SENSING OF METAL IONS PCBP1, PUF60, PAH CES2 3377/4885CES1 4884/4885KMT2A 576/4885

“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.