SCHEMBL2796019

SCHEMBL2796019

C=C(CCCOCCOCCO)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 3/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.34
TBXAS1 P24557 2/20 0.33
ALDH1A1 P00352 1/20 0.30
CAMK2A Q9UQM7 1/20 0.30

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
SCHEMBL8966786 1.00 MEN1 (0.44) MEN1KMT2ATHRBHTTMAPT
SCHEMBL1874982 0.98 TSHR (0.42) MEN1KMT2ATHRBHTTMAPT
Di(Hydroxyethyl)Ether SCHEMBL6990322 0.90 TSHR (0.42) MEN1KMT2ATHRBHTTMAPT
SCHEMBL11126565 0.89 TSHR (0.39) TSHRGAATBXAS1ALDH1A1
SCHEMBL9062589 0.88 MEN1 (0.48) MEN1KMT2ATHRBHTTMAPT
Di(Hydroxyethyl)Ether SCHEMBL8815476 0.85 TSHR (0.46) MEN1KMT2ATHRBHTTMAPT
SCHEMBL585948 0.85 TSHR (0.46) MEN1KMT2ATHRBHTTMAPT
Di(Hydroxyethyl)Ether SCHEMBL26090179 0.85 TSHR (0.52) MEN1KMT2ATHRBHTTMAPT
SCHEMBL985177 0.82 TSHR (0.43) MEN1KMT2ATHRBHTTMAPT
SCHEMBL33661 0.82 THRB (0.44) THRBTSHRALDH1A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382434-B2 Actinic radiation-curable inkjet ink and image forming method using same Konica Minolta, Inc. (JP) 2016-07-05 US claimed
EP-0716929-B1 Ink-jet recording material having a polymer matrix coating ARKWRIGHT INC (US) 2000-04-19 EP claimed
US-9382434-B2 Actinic radiation-curable inkjet ink and image forming method using same Konica Minolta, Inc. (JP) 2016-07-05 US disclosed
US-20130053506-A1 FLUORINE COMPOUND AND ACTIVE ENERGY RAY-CURABLE RESIN COMPOSITION USING SAME DIC CORPORATION (JP) 2013-02-28 US disclosed
EP-2115021-B1 SOLID PHASE EXTRACTION OF AFLATOXINS TOXIMET LTD (GB) 2012-07-25 EP disclosed
EP-2134435-B1 SOLID PHASE EXTRACTION OF OCHRATOXINS TOXIMET LTD (GB) 2010-08-25 EP disclosed
US-20100167409-A1 SOLID PHASE EXTRACTION OF ALFATOXINS TOXIMET LIMITED (GB) 2010-07-01 US disclosed
US-20100151583-A1 SOLID PHASE EXTRACTION OF OCHRATOXINS TOXIMET LIMITED (GB) 2010-06-17 US disclosed
EP-2134435-A1 SOLID PHASE EXTRACTION OF OCHRATOXINS Toximet Limited (GB) 2009-12-23 EP disclosed
EP-2115021-A1 SOLID PHASE EXTRACTION OF AFLATOXINS Toximet Limited (GB) 2009-11-11 EP disclosed
WO-2008125887-A1 SOLID PHASE EXTRACTION OF OCHRATOXINS TOXIMET LIMITED (GB) 2008-10-23 WO disclosed
WO-2008096179-A1 SOLID PHASE EXTRACTION OF AFLATOXINS TOXIMET LIMITED (GB) 2008-08-14 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 (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-20130053506-A1 FLUORINE COMPOUND AND ACTIVE ENERGY RAY-CURABLE RESIN COMPOSITION USING SAME RER1, AFF1, AFF4 MEN1 3202/4885KMT2A 848/4885THRB 2541/4885

“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.