SCHEMBL3278602

SCHEMBL3278602

C=C(C)C(=O)NCCNCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.48
TGFBR1 P36897 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
EPHX1 P07099 3/20 0.32
THRB P10828 2/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
THRA P10827 1/20 0.32
MCL1 Q07820 1/20 0.31
ACHE P22303 1/20 0.31
CA3 P07451 1/20 0.31
CA5A P35218 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL16267884 0.91 TGFBR1 (0.38) PAOXTGFBR1THRBCA3CA5A
SCHEMBL522678 0.88 PAOX (0.46) PAOXMMP2EPHX1ACHECA3
SCHEMBL10423555 0.88 PAOX (0.55) PAOXMMP2EPHX1ACHEPLA2G2A
SCHEMBL3278941 0.88 PAOX (0.60) PAOXEPHX1DRD2DRD4DRD3
SCHEMBL3279918 0.88 PAOX (0.66) PAOXEPHX1DRD2DRD4DRD3
SCHEMBL2830344 0.88 PAOX (0.48) PAOXTGFBR1MMP1MMP2MMP3
SCHEMBL149370 0.87
SCHEMBL7612872 0.86 PAOX (0.63) PAOXEPHX1DRD2DRD4DRD3
SCHEMBL7620717 0.86 PAOX (0.63) PAOXEPHX1DRD2DRD4DRD3
SCHEMBL3280671 0.86 PAOX (0.48) PAOXEPHX1TSHRPLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700540-B2 Hard surface cleaning composition THE CLOROX COMPANY (US) 2010-04-20 US claimed
US-20070099816-A1 Hard Surface Cleaning Composition THE CLOROX COMPANY 2007-05-03 US claimed
EP-2582733-B1 POLYMERS COMPRISING SACCHARIDE SIDE GROUPS AND USE THEREOF BASF SE (DE) 2014-06-04 EP disclosed
US-8481639-B2 Polymers with saccharide side groups and their use BASF SE (DE) 2013-07-09 US disclosed
EP-2582733-A1 POLYMERS COMPRISING SACCHARIDE SIDE GROUPS AND USE THEREOF BASF SE (DE) 2013-04-24 EP disclosed
WO-2011157777-A1 POLYMERS COMPRISING SACCHARIDE SIDE GROUPS AND USE THEREOF BASF SE (DE) 2011-12-22 WO disclosed
US-7700540-B2 Hard surface cleaning composition THE CLOROX COMPANY (US) 2010-04-20 US disclosed
US-20090257960-A1 NEUTRALIZED ACID GROUP-CONTAINING POLYMERS AND THE USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2009-10-15 US disclosed
US-20090081137-A1 Crosslinked Polytetrahydrofuran-Containing Polyurethanes BASF AKTIENGESELLSCHAFT (DE) 2009-03-26 US disclosed
EP-2023892-A1 NEUTRALIZED ACID GROUP-CONTAINING POLYMERS AND THE USE THEREOF BASF SE (DE) 2009-02-18 EP disclosed
WO-2007128776-A1 NEUTRALIZED ACID GROUP-CONTAINING POLYMERS AND THE USE THEREOF BASF SE (DE) 2007-11-15 WO disclosed
WO-2000035677-A1 INKJET PRINTING MEDIUM COMPRISING MULTIPLE COATINGS PPG INDUSTRIES OHIO, INC. (US) 2000-06-22 WO disclosed
US-6074761-A COATING COMPRISES A BINDER CONSISTS OF ORGANIC POLYMER FREE OR AMMONIUM GROUPS, A CATIONIC ADDITION POLYMER CONTAINING QUATERNARY AMMONIUM GROUP, A SECOND ADDITION CATION POLYMER CONTAINING SECONDARY OR TERTIARY AMINE GROUPS, AND A FILLER PPG INDUSTRIES OHIO, INC. (US) 2000-06-13 US disclosed
EP-0988152-A1 COATING COMPOSITION AND PRINTING MEDIUM PPG Industries Ohio, Inc. (US) 2000-03-29 EP disclosed
EP-0988154-A1 COATING COMPOSITION AND PRINTING MEDIUM PPG Industries Ohio, Inc. (US) 2000-03-29 EP disclosed
US-5880196-A VOLATILE AQUEOUS LIQUID MEDIUM CONTAINING ONIUM-FREE AND ONIUM-CONTAINING POLYMERIC BINDERS, FINELY DIVIDED PSEUDOBOEHMITE PARTICLES; NONBLEEDING PPG INDUSTRIES, INC. (US) 1999-03-09 US disclosed
WO-1998056592-A1 COATING COMPOSITION AND PRINTING MEDIUM PPG INDUSTRIES OHIO, INC. (US) 1998-12-17 WO disclosed
WO-1998056591-A1 COATING COMPOSITION AND PRINTING MEDIUM PPG INDUSTRIES OHIO, INC. (US) 1998-12-17 WO disclosed
US-5476544-A Dispersing agent TOYO INK MANUFACTURING CO., LTD. (JP) 1995-12-19 US disclosed
WO-1995016738-A1 ELECTRONEGATIVE-SUBSTITUTED BISMALEIMIDE ANTI-REVERSION COAGENTS AKZO NOBEL N.V. (NL) 1995-06-22 WO 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 (2 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-20090081137-A1 Crosslinked Polytetrahydrofuran-Containing Polyurethanes PUF60, MACF1, FKBP5 PAOX 621/4885TGFBR1 1849/4885MMP1 817/4885
US-20090257960-A1 NEUTRALIZED ACID GROUP-CONTAINING POLYMERS AND THE USE THEREOF PARG, PUF60, PARN PAOX 429/4885TGFBR1 1434/4885MMP1 2318/4885

“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.