SCHEMBL6380368

SCHEMBL6380368

CC(O)CCCC[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
BLM P54132 1/20 0.34
HBB P68871 1/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 1/20 0.34
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.32
CPA1 P15085 1/20 0.31
CA1 P00915 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
TRPA1 O75762 1/20 0.30

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
SCHEMBL6261486 0.98 ALDH1A1 (0.52) ALDH1A1TDP1MEN1LMNABLM
SCHEMBL6929123 0.98 ALDH1A1 (0.52) ALDH1A1TDP1MEN1LMNABLM
SCHEMBL8896820 0.98 ALDH1A1 (0.52) ALDH1A1TDP1MEN1LMNABLM
SCHEMBL2460940 0.93
SCHEMBL8399806 0.93
SCHEMBL6384594 0.83
SCHEMBL9052189 0.83
SCHEMBL20641014 0.83
SCHEMBL8466548 0.81 ALDH1A1 (0.46) ALDH1A1TDP1MEN1LMNABLM
SCHEMBL6931009 0.79 ALDH1A1 (0.41) ALDH1A1MAPTTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976734-B1 Selective inhibitors of viral or bacterial neuraminidase GILEAD SCIENCES INC (US) 2005-09-28 EP disclosed
US-20050176758-A1 2-(hydroxy or methoxymethoxy)-4-(carboxy or alkoxycarbonyl)-5-(fluoro or hydrogen)-7-oxabicyclo(4.1.0)hept-3-ene chemical intermediates to neuraminidase inhibitors GILEAD SCIENCES, INC. 2005-08-11 US disclosed
US-6225341-B1 FOR INHIBITING NEURAMINIDASE; FOR THERAPY AND PROPHYLAXIS OF VIRUS INFECTION GILEAD SCIENCES, INC. 2001-05-01 US disclosed
EP-0759917-B1 NOVEL SELECTIVE INHIBITORS OF VIRAL OR BACTERIAL NEURAMINIDASES GILEAD SCIENCES INC (US) 2000-04-12 EP disclosed
WO-1996026933-A9 NOVEL SELECTIVE INHIBITORS OF VIRAL OR BACTERIAL NEURAMINIDASES 1996-11-28 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-20050176758-A1 2-(hydroxy or methoxymethoxy)-4-(carboxy or alkoxycarbonyl)-5-(fluoro or hydrogen)-7-oxabicyclo(4.1.0)hept-3-ene chemical intermediates to neuraminidase inhibitors NEU3, NEU1, NEU4 ALDH1A1 374/4885TDP1 2496/4885MEN1 2215/4885

“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.