SCHEMBL3978073

SCHEMBL3978073

O=C(CCCC1OC(=O)COC1=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EPHX2 P34913 1/20 0.40
GLA P06280 1/20 0.39
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
NOTUM Q6P988 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
CASP1 P29466 1/20 0.36
CDC25B P30305 1/20 0.36

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
SCHEMBL3976930 0.95 EPHX2 (0.43) ALDH1A1MAPK1L3MBTL1EPHX2GLA
SCHEMBL567024 0.93 ALDH1A1 (0.43) ALDH1A1MAPK1L3MBTL1EPHX2GLA
SCHEMBL567494 0.93 ALDH1A1 (0.43) ALDH1A1MAPK1L3MBTL1EPHX2GLA
SCHEMBL536617 0.85 GLA (0.47) ALDH1A1MAPK1L3MBTL1GLAUSP2
SCHEMBL567327 0.85 GLA (0.47) ALDH1A1MAPK1L3MBTL1GLAUSP2
SCHEMBL567366 0.82 HTT (0.51) LMNA
SCHEMBL567608 0.82 HTT (0.51) LMNA
SCHEMBL567609 0.76 CASP1 (0.47) ALDH1A1MAPK1LMNACASP1
SCHEMBL12537282 0.75 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1GLANOTUM
SCHEMBL9886344 0.75 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1GLANOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557176-B2 Polyhydroxyalkanoic acid having vinyl, ester, carboxyl or sulfonic acid group and producing method therefor CANON KABUSHIKI KAISHA (JP) 2009-07-07 US disclosed
US-7557176-B2 Polyhydroxyalkanoic acid having vinyl, ester, carboxyl or sulfonic acid group and producing method therefor CANON KABUSHIKI KAISHA (JP) 2009-07-07 US disclosed
US-7557176-B2 Polyhydroxyalkanoic acid having vinyl, ester, carboxyl or sulfonic acid group and producing method therefor CANON KABUSHIKI KAISHA (JP) 2009-07-07 US disclosed
EP-1758948-B1 POLYHYDROXYALKANOIC ACID HAVING VINYL, ESTER, CARBOXYL OR SULFONIC ACID GROUP AND PRODUCING METHOD THEREFOR CANON KK (JP) 2009-05-13 EP disclosed
EP-1758948-B1 POLYHYDROXYALKANOIC ACID HAVING VINYL, ESTER, CARBOXYL OR SULFONIC ACID GROUP AND PRODUCING METHOD THEREFOR CANON KK (JP) 2009-05-13 EP disclosed
US-20080064828-A1 Polyhydroxyalkanoic Acid Having Vinyl, Ester, Carboxyl or Sulfonic Acid Group and Producing Method Therefor CANON KABUSHIKI KAISHA (JP) 2008-03-13 US disclosed
US-20080064828-A1 Polyhydroxyalkanoic Acid Having Vinyl, Ester, Carboxyl or Sulfonic Acid Group and Producing Method Therefor CANON KABUSHIKI KAISHA (JP) 2008-03-13 US disclosed
US-20080064828-A1 Polyhydroxyalkanoic Acid Having Vinyl, Ester, Carboxyl or Sulfonic Acid Group and Producing Method Therefor CANON KABUSHIKI KAISHA (JP) 2008-03-13 US disclosed
EP-1758948-A2 POLYHYDROXYALKANOIC ACID HAVING VINYL, ESTER, CARBOXYL OR SULFONIC ACID GROUP AND PRODUCING METHOD THEREFOR Canon Kabushiki Kaisha (JP) 2007-03-07 EP disclosed
WO-2005121204-A2 POLYHYDROXYALKANOIC ACID HAVING VINYL, ESTER, CARBOXYL OR SULFONIC ACID GROUP AND PRODUCING METHOD THEREFOR CANON KABUSHIKI KAISHA (JP) 2005-12-22 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-20080064828-A1 Polyhydroxyalkanoic Acid Having Vinyl, Ester, Carboxyl or Sulfonic Acid Group and Producing Method Therefor FAR1, ACSL4, ACAD11 ALDH1A1 224/4885MAPK1 3262/4885L3MBTL1 3223/4885

“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.