SCHEMBL3287016

SCHEMBL3287016

O=C(O)CCCCCCCCCCCCCCCCCCCCCCCNC(=O)OCc1ccccc1

nearest known ligand 0.88

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.88
TGM2 P21980 1/20 0.68
FOLH1 Q04609 6/20 0.64
LMNA P02545 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
KEAP1 Q14145 2/20 0.61
NFE2L2 Q16236 2/20 0.61
KMT2A Q03164 2/20 0.60
PTGER4 P35408 3/20 0.57
MEN1 O00255 1/20 0.55
TPSAB1 Q15661 1/20 0.55
TPSD1 Q9BZJ3 1/20 0.55
TPSG1 Q9NRR2 1/20 0.55

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
SCHEMBL125577 1.00 HTT (0.88) HTTTGM2FOLH1LMNASMN1; SMN2
SCHEMBL8674198 1.00 HTT (0.88) HTTTGM2FOLH1LMNASMN1; SMN2
SCHEMBL2876850 1.00 HTT (0.88) HTTTGM2FOLH1LMNASMN1; SMN2
SCHEMBL3693087 1.00 HTT (0.88) HTTTGM2FOLH1LMNASMN1; SMN2
SCHEMBL3694316 1.00 HTT (0.88) HTTTGM2FOLH1LMNASMN1; SMN2
SCHEMBL4857273 1.00 HTT (0.88) HTTTGM2FOLH1LMNASMN1; SMN2
SCHEMBL4858734 1.00 HTT (0.88) HTTTGM2FOLH1LMNASMN1; SMN2
SCHEMBL2875581 1.00 HTT (0.88) HTTTGM2FOLH1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL4438046 0.98 HTT (0.86) HTTTGM2FOLH1LMNASMN1; SMN2
SCHEMBL879577 0.98 HTT (0.91) HTTTGM2FOLH1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718157-B1 Targeted lipid particles BAKER TERENCE SEWARD 2010-05-18 US disclosed
US-7718157-B1 Targeted lipid particles BAKER TERENCE SEWARD 2010-05-18 US disclosed
US-7531676-B2 Lipids CELLTECH R & D LIMITED (GB) 2009-05-12 US disclosed
US-7531676-B2 Lipids CELLTECH R & D LIMITED (GB) 2009-05-12 US disclosed
US-20060148761-A1 Lipids CELLTECH R & D LIMITED 2006-07-06 US disclosed
US-20040024220-A1 Lipids CELLTECH R & D LIMITED 2004-02-05 US disclosed
US-6583301-B1 Bipolar; form complexes with polyanions; delivering bioactive substances such as nucleic acids to cells in vitro and in vivo CELLTECH R & D LIMITED (GB) 2003-06-24 US disclosed
EP-1204428-A2 TARGETED LIPID PARTICLES Celltech R&D Limited (GB) 2002-05-15 EP disclosed
WO-2001012154-A2 TARGETED LIPID PARTICLES CELLTECH R&D LIMITED (GB) 2001-02-22 WO disclosed
EP-1070047-A2 LIPIDS Celltech Chiroscience Limited (GB) 2001-01-24 EP disclosed
WO-1999052858-A2 LIPIDS CELLTECH THERAPEUTICS LIMITED (GB) 1999-10-21 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 (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-20040024220-A1 Lipids PHOSPHO1, FABP7, MBOAT7 HTT 379/4885TGM2 3174/4885FOLH1 714/4885
US-20060148761-A1 Lipids PHOSPHO1, FABP7, MBOAT7 HTT 379/4885TGM2 3174/4885FOLH1 714/4885

“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.