SCHEMBL3938461

SCHEMBL3938461

O=[C]CC(O)CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 3/20 0.51
MMP13 P45452 2/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP14 P50281 1/20 0.51
DPP4 P27487 1/20 0.51
ANPEP P15144 2/20 0.47
ERAP1 Q9NZ08 2/20 0.47
ERAP2 Q6P179 1/20 0.47
ACP3 P15309 1/20 0.46
TRPA1 O75762 2/20 0.44
CNR2 P34972 1/20 0.44
TSHR P16473 1/20 0.44
KEAP1 Q14145 1/20 0.43
DHFR P00374 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL1139615 1.00 MMP12 (0.51) MMP12MMP13MMP2MMP9MMP14
SCHEMBL9865316 0.90 TRPA1 (0.51) MMP12MMP13MMP2MMP9MMP14
SCHEMBL4799370 0.84 MMP2 (0.55) MMP12MMP13MMP2MMP9MMP14
SCHEMBL4980139 0.84 DPP4 (0.45) MMP12MMP13MMP2MMP9MMP14
SCHEMBL15195459 0.84 DPP4 (0.45) MMP12MMP13MMP2MMP9MMP14
SCHEMBL6695127 0.84 MIF (0.46) MMP12MMP13MMP2MMP9MMP14
SCHEMBL7824406 0.81 MMP12 (0.53) MMP12MMP13MMP2MMP9MMP14
SCHEMBL6692564 0.80 FFAR1 (0.42) MMP12MMP13MMP2MMP9MMP14
SCHEMBL1138927 0.80 FFAR1 (0.42) MMP12MMP13MMP2MMP9MMP14
SCHEMBL4258875 0.80 FFAR1 (0.42) MMP12MMP13MMP2MMP9MMP14

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-7615233-B2 Particulate construct comprising polyhydroxyalkanoate and method for producing it CANON KABUSHIKI KAISHA (JP) 2009-11-10 US disclosed
US-7527809-B2 Polyhydroxyalkanoate-containing magnetic structure, and manufacturing method and use thereof CANON KABUSHIKI KAISHA (JP) 2009-05-05 US disclosed
EP-1275378-B1 Particulate construct comprising polyhydroxyalkanoate and method for producing it CANON KK (JP) 2009-04-15 EP disclosed
EP-1253475-B1 Electrostatic charge image developing toner, producing method therefor, and image forming method and image forming apparatus utilizing the toner CANON KK (JP) 2007-08-08 EP disclosed
US-7153622-B2 Polyhydroxyalkanate overcoating a coloring agent CANON KABUSHIKI KAISHA (JP) 2006-12-26 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
US-20040259026-A1 Polyhydroxyalkanate overcoating a coloring agent CANON KABUSHIKI KAISHA (JP) 2004-12-23 US disclosed
WO-2004096188-A1 POLYHYDROXYALKANOATE-CONTAINING MAGNETIC STRUCTURE, AND MANUFACTURING METHOD AND USE THEREOF CANON KABUSHIKI KAISHA (JP) 2004-11-11 WO disclosed
US-20030194443-A1 Particulate construct comprising polyhydroxyalkanoate and method for producing it CANON KABUSHIKI KAISHA (JP) 2003-10-16 US disclosed
US-20030118931-A1 Electrostatic charge image developing toner, producing method therefor, and image forming method and image forming apparatus utilizing the toner CANON KABUSHIKI KAISHA (JP) 2003-06-26 US disclosed
EP-1275378-A2 Particulate construct comprising polyhydroxyalkanoate and method for producing it CANON KABUSHIKI KAISHA (JP) 2003-01-15 EP disclosed
EP-1253475-A2 Electrostatic charge image developing toner, producing method therefor, and image forming method and image forming apparatus utilizing the toner CANON KABUSHIKI KAISHA (JP) 2002-10-30 EP 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-20030194443-A1 Particulate construct comprising polyhydroxyalkanoate and method for producing it SQLE, FDFT1, CYP51A1 MMP12 2452/4885MMP13 3300/4885MMP2 3651/4885
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 MMP12 1385/4885MMP13 2546/4885MMP2 2874/4885

“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.