SCHEMBL2584448

SCHEMBL2584448

CCCCC(CC)CN1C(=O)CC(C)=C(C#N)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ THRB P10828 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAPK1 P28482 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ DRD3 P35462 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
SCHEMBL13070400 0.82 ALDH1A1 (0.38) KDM4EALDH1A1HPGDTHRBKMT2A
SCHEMBL12180619 0.80 CHRM2 (0.38) KDM4EALDH1A1HPGDTHRBKMT2A
SCHEMBL3875987 0.79 KDM4E (0.44) KDM4EALDH1A1HPGDTHRBKMT2A
SCHEMBL421735 0.78 KDM4E (0.40) KDM4EALDH1A1HPGDTHRBKMT2A
SCHEMBL14937623 0.78 GAA (0.43) KDM4EALDH1A1THRBKMT2AGAA
SCHEMBL5272376 0.77 CHRM2 (0.41) KDM4EALDH1A1HPGDTHRBKMT2A
SCHEMBL11150921 0.77 CA2 (0.37) KDM4EALDH1A1HPGDTHRBKMT2A
SCHEMBL12180565 0.77 ALDH1A1 (0.37) KDM4EALDH1A1HPGDTHRBKMT2A
SCHEMBL11208116 0.76 KDM4E (0.34) KDM4EALDH1A1HPGDTHRBKMT2A
SCHEMBL13692648 0.76 SMN1; SMN2 (0.39) KDM4EALDH1A1HPGDTHRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566848-A1 IMPROVED OLIGOTHIOPHENES Commonwealth Scientific and Industrial Research Organisation (AU) 2013-03-13 — — EP disclosed
US-20130042918-A1 OLIGOTHIOPHENES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARIAL ORGANISATION 2013-02-21 — — US disclosed
US-20130042918-A1 OLIGOTHIOPHENES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARIAL ORGANISATION 2013-02-21 — — US disclosed
US-20130042918-A1 OLIGOTHIOPHENES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARIAL ORGANISATION 2013-02-21 — — US disclosed
WO-2011137487-A1 IMPROVED OLIGOTHIOPHENES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2011-11-10 — — WO disclosed
WO-2011137487-A1 IMPROVED OLIGOTHIOPHENES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2011-11-10 — — WO disclosed
WO-2010132951-A1 OLIGOTHIOPHENES AND USES THEREOF IN PHOTOVOLTAIC DEVICES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2010-11-25 — — 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-20130042918-A1 OLIGOTHIOPHENES NR0B2, NR2C2, NR1H2 KDM4E 4297/4885ALDH1A1 1604/4885HPGD 4167/4885

“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.

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