SCHEMBL1628615

SCHEMBL1628615

O=C1CC(=O)C2CC=CCC12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TP53 P04637 2/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
HIF1A Q16665 1/20 0.37
NPSR1 Q6W5P4 2/20 0.35
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA9 Q16790 4/20 0.35
TDP1 Q9NUW8 3/20 0.35
CA12 O43570 3/20 0.35
POLB P06746 2/20 0.35
CA4 P22748 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
SCHEMBL19903873 0.84 ALDH1A1 (0.32) ALDH1A1LMNATSHRKMT2AHSD17B10
SCHEMBL7123770 0.81 ALDH1A1 (0.37) ALDH1A1LMNATSHRKMT2AHSD17B10
SCHEMBL1628557 0.76
SCHEMBL9358053 0.73 ALDH1A1 (0.35) ALDH1A1LMNATSHRKMT2AHSD17B10
SCHEMBL5160089 0.73 ALDH1A1 (0.35) ALDH1A1LMNATSHRKMT2AHSD17B10
SCHEMBL431589 0.69
SCHEMBL424899 0.69
SCHEMBL10975038 0.69
SCHEMBL11283022 0.69 ALDH1A1 (0.37) ALDH1A1LMNATSHRKMT2AHSD17B10
SCHEMBL10399375 0.69 ALDH1A1 (0.37) ALDH1A1LMNATSHRKMT2AHSD17B10

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
US-9278909-B2 Amide-extended crosslinking compounds and methods for use thereof DESIGNER MOLECULES, INC. (US) 2016-03-08 US disclosed
US-9246187-B2 Non-aqueous electrolyte for lithium-ion battery UCHICAGO ARGONNE, LLC (US) 2016-01-26 US disclosed
US-9218915-B2 Non-aqueous electrolyte for lithium-ion battery UCHICAGO ARGONNE, LLC (US) 2015-12-22 US disclosed
US-20140272607-A1 NON-AQUEOUS ELECTROLYTE FOR LITHIUM-ION BATTERY UCHICAGO ARGONNE LLC (US) 2014-09-18 US disclosed
US-20140186721-A1 NON-AQUEOUS ELECTROLYTE FOR LITHIUM-ION BATTERY UCHICAGO ARGONNE, LLC (US) 2014-07-03 US disclosed
US-8513375-B2 Imide-linked maleimide and polymaleimide compounds DESIGNER MOLECULES, INC. 2013-08-20 US disclosed
US-20120088160-A1 NON-AQUEOUS ELECTROLYTE FOR LITHIUM-ION BATTERY UCHICAGO ARGONNE, LLC 2012-04-12 US disclosed
US-20110130485-A1 IMIDE-LINKED MALEIMIDE AND POLYMALEIMIDE COMPOUNDS DESIGNER MOLECULES, INC. (US) 2011-06-02 US disclosed
US-7884174-B2 condensation of appropriate anhydrides with appropriate diamines to give amine terminated compounds, then condensed with excess maleic anhydride to yield imide-extended maleimide compounds DESIGNER MOLECULES, INC. (US) 2011-02-08 US disclosed
US-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-08-19 US disclosed
US-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-08-19 US disclosed
EP-2176209-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-04-21 EP disclosed
WO-2009012954-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-01-29 WO disclosed
WO-2009012954-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-01-29 WO disclosed
US-20080075961-A1 Imide-linked maleimide and polymaleimide compounds DESIGNER MOLECULES, INC. 2008-03-27 US disclosed
US-6603041-B2 Inhibit binding of integrins to their ligands and are of use in prophylaxis and therapy of of immune or inflammatory disorders, or disorders including inappropriate growth or migration of cells CELLTECH R & D LIMITED (GB) 2003-08-05 US disclosed
EP-1315725-A1 BICYCLIC ENAMIDE DERIVATIVES BEING INTEGRIN INHIBITORS Celltech R & D Limited (GB) 2003-06-04 EP disclosed
US-20020072607-A1 Inhibit binding of integrins to their ligands and are of use in prophylaxis and therapy of of immune or inflammatory disorders, or disorders including inappropriate growth or migration of cells CELLTECH R&D, LTD. (GB) 2002-06-13 US disclosed
WO-2002020522-A1 BICYCLIC ENAMIDE DERIVATIVES BEING INTEGRIN INHIBITORS CELLTECH R & D LIMITED (GB) 2002-03-14 WO disclosed
US-3984455-A Prostaglandin E1 analogs THE UPJOHN COMPANY (US) 1976-10-05 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-20110130485-A1 IMIDE-LINKED MALEIMIDE AND POLYMALEIMIDE COMPOUNDS MEN1, PBRM1, PAICS ALDH1A1 3665/4885LMNA 1617/4885TSHR 4587/4885
US-20020072607-A1 Inhibit binding of integrins to their ligands and are of use in prophylaxis and therapy of of immune or inflammatory disorders, or disorders including inappropriate growth or migration of cells ITGB2, VCAM1, ITGB1 ALDH1A1 1359/4885LMNA 2667/4885TSHR 1154/4885
US-20120088160-A1 NON-AQUEOUS ELECTROLYTE FOR LITHIUM-ION BATTERY VDAC1, VDAC2, CA2 ALDH1A1 1200/4885LMNA 692/4885TSHR 3073/4885
US-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR1, ESRRA, ESR2 ALDH1A1 3055/4885LMNA 3050/4885TSHR 111/4885

“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.