SCHEMBL6861550

SCHEMBL6861550

O=[C]NCCC1=CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
ALOX15 P16050 2/20 0.56
TAAR1 Q96RJ0 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
HPGD P15428 1/20 0.47
EPHX1 P07099 1/20 0.47
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL30998318 0.81 ALDH1A1 (0.51) ALDH1A1ALOX15TAAR1SMN1; SMN2NPC1
SCHEMBL13195715 0.76 ALDH1A1 (0.58) ALDH1A1ALOX15TAAR1SMN1; SMN2NPC1
SCHEMBL14840616 0.75 ALDH1A1 (0.47) ALDH1A1ALOX15TAAR1SMN1; SMN2NPC1
SCHEMBL629235 0.75 ALDH1A1 (0.61) ALDH1A1ALOX15TAAR1SMN1; SMN2NPC1
SCHEMBL7783342 0.74 EPHX1 (0.73) ALDH1A1TAAR1SMN1; SMN2NPC1RAB9A
SCHEMBL4395085 0.74 ALDH1A1 (0.56) ALDH1A1ALOX15TAAR1SMN1; SMN2NPC1
SCHEMBL2513477 0.73 ALDH1A1 (0.52) ALDH1A1ALOX15TAAR1SMN1; SMN2NPC1
SCHEMBL8381260 0.73 ALDH1A1 (0.52) ALDH1A1ALOX15TAAR1SMN1; SMN2NPC1
SCHEMBL15894023 0.72 ALDH1A1 (0.57) ALDH1A1ALOX15TAAR1SMN1; SMN2NPC1
SCHEMBL14423917 0.72 ALDH1A1 (0.57) ALDH1A1ALOX15TAAR1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6797820-B2 HYDROXAMATE DERIVATIVES THAT INHIBIT PEPTIDYL DEFORMYLASE (PDF), ANTIMICROBIALS AND ANTIBIOTICS VICURON PHARMACEUTICALS INC. 2004-09-28 US claimed
EP-1237862-A1 SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION Versicor, Inc. (US) 2002-09-11 EP claimed
US-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation VICURON HOLDINGS LLC 2002-08-22 US claimed
WO-2001044179-A1 NOVEL SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION VERSICOR, INC. (US) 2001-06-21 WO claimed
US-6797820-B2 HYDROXAMATE DERIVATIVES THAT INHIBIT PEPTIDYL DEFORMYLASE (PDF), ANTIMICROBIALS AND ANTIBIOTICS VICURON PHARMACEUTICALS INC. 2004-09-28 US disclosed
EP-1237862-A1 SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION Versicor, Inc. (US) 2002-09-11 EP disclosed
US-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation VICURON HOLDINGS LLC 2002-08-22 US disclosed
WO-2001044179-A1 NOVEL SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION VERSICOR, INC. (US) 2001-06-21 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-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation PDF, MMP2, SDHA ALDH1A1 1152/4885ALOX15 1634/4885TAAR1 4615/4885

“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.