SCHEMBL4081338

SCHEMBL4081338

CCCCCC(=O)OOc1ccc(C#N)c(O)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
CNR2 P34972 3/20 0.39
HTT P42858 1/20 0.39
ELANE P08246 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MGLL Q99685 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HSD17B3 P37058 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA2 P00918 1/20 0.35

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
SCHEMBL4073837 0.80 MGLL (0.52) ALDH1A1HPGDHTTKDM4EMGLL
SCHEMBL4076672 0.76 ALDH1A1 (0.46) ALDH1A1HPGDCNR2HTTKDM4E
SCHEMBL3297253 0.75 NR5A1 (0.58) ALDH1A1HPGDCNR2HTTKDM4E
SCHEMBL6689346 0.75 ALDH1A1 (0.47) ALDH1A1HPGDKDM4ENPC1TP53
SCHEMBL4081342 0.74 ALOX15 (0.47) ALDH1A1HPGDCNR2HTTKDM4E
SCHEMBL31134351 0.72 CA2 (0.53) ALDH1A1HTTNPC1TP53RAB9A
SCHEMBL8357742 0.72 EPHX2 (0.52)
SCHEMBL1139585 0.72 PPARG (0.49) ALDH1A1HPGDSMN1; SMN2
SCHEMBL9065260 0.71 CES2 (0.49) ALDH1A1KDM4EKMT2A
SCHEMBL25780187 0.71 CNR2 (0.43) ALDH1A1HPGDCNR2MGLL

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 2 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

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 ALDH1A1 2654/4885HPGD 60/4885CNR2 1838/4885

“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.