SCHEMBL4073837

SCHEMBL4073837

CCCCCC(=O)OOc1ccc(C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.52
MMP3 P08254 2/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPT P10636 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
MMP2 P08253 2/20 0.42
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
RAB9A P51151 1/20 0.42
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 1/20 0.40
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL4073842 0.85 MGLL (0.62) MGLLMMP3ALDH1A1MAPTHDAC1
SCHEMBL27269166 0.84 MGLL (0.64) MGLLMMP3ALDH1A1MAPTHDAC1
SCHEMBL11736347 0.81 MGLL (0.58) MGLLMMP3ALDH1A1MAPTHDAC1
SCHEMBL7875323 0.80 MGLL (0.62) MGLLMMP3ALDH1A1MAPTHDAC1
SCHEMBL11761113 0.80 MGLL (0.60) MGLLMMP3ALDH1A1HDAC1HDAC2
SCHEMBL11766712 0.80 MGLL (0.60) MGLLMMP3ALDH1A1HDAC1HDAC2
SCHEMBL5349162 0.80 MGLL (0.60) MGLLMMP3ALDH1A1HDAC1HDAC2
SCHEMBL4081338 0.80 ALDH1A1 (0.41) MGLLALDH1A1RAB9ATSHRHSD17B10
SCHEMBL9065260 0.80 CES2 (0.49) ALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL38659998 0.79 MAPT (0.48) ALDH1A1MAPTRAB9ATSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7527809-B2 Polyhydroxyalkanoate-containing magnetic structure, and manufacturing method and use thereof CANON KABUSHIKI KAISHA (JP) 2009-05-05 US disclosed
US-20060263432-A1 Useful as a sustained release pharmaceutical preparation; microcapsule stably containing a drug, especially a water-soluble drug at high content and which has magnetic property; drug delivery; excellent in dispersibility and magnetic response CANON KABUSHIKI KAISHA (JP) 2006-11-23 US disclosed
WO-2004096188-A1 POLYHYDROXYALKANOATE-CONTAINING MAGNETIC STRUCTURE, AND MANUFACTURING METHOD AND USE THEREOF CANON KABUSHIKI KAISHA (JP) 2004-11-11 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-20060263432-A1 Useful as a sustained release pharmaceutical preparation; microcapsule stably containing a drug, especially a water-soluble drug at high content and which has magnetic property; drug delivery; excellent in dispersibility and magnetic response SKP1, HAMP, AUP1 MGLL 434/4885MMP3 3480/4885ALDH1A1 2654/4885

“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.