SCHEMBL728940

SCHEMBL728940

COCCC1CCCCC1=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA4 P22748 5/20 0.46
CA6 P23280 4/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.35
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
OPRK1 P41145 1/20 0.35
HTT P42858 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
SCHEMBL2730971 0.94 NPC1 (0.44) CA1CA2CA4CA6NPC1
SCHEMBL8615642 0.81 NPC1 (0.46) CA1CA2CA4CA6NPC1
SCHEMBL3437946 0.80 CA1 (0.49) CA1CA2CA4CA6NPC1
SCHEMBL29852107 0.80 NPC1 (0.49) CA1CA2CA4CA6NPC1
SCHEMBL10995155 0.79 CA1 (0.42) CA1CA2CA4CA6NPC1
SCHEMBL8026467 0.79 NPC1 (0.48) CA1CA2CA4CA6NPC1
SCHEMBL8020977 0.79 NPC1 (0.48) CA1CA2CA4CA6NPC1
SCHEMBL8021615 0.79 NPC1 (0.48) CA1CA2CA4CA6NPC1
SCHEMBL12870052 0.78 NPC1 (0.51) CA1CA2CA4CA6NPC1
SCHEMBL420230 0.78 NPC1 (0.51) CA1CA2CA4CA6NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943218-B1 ALKOXYALKYL SPIROCYCLIC TETRAMIC ACIDS AND TETRONIC ACIDS BAYER IP GMBH (DE) 2015-05-06 EP disclosed
US-8138119-B2 Alkoxyalkyl spirocyclic tetramic acids and tetronic acids BAYER CROPSCIENCE AG (DE) 2012-03-20 US disclosed
US-20090215624-A1 Alkoxyalkyl Spirocyclic Tetramic Acids and Tetronic Acids BAYER CROPSCIENCE AG (DE) 2009-08-27 US disclosed
EP-1943218-A2 ALKOXYALKYL SPIROCYCLIC TETRAMIC ACIDS AND TETRONIC ACIDS Bayer CropScience AG (DE) 2008-07-16 EP disclosed
WO-2007048545-A2 ALKOXYALKYL SPIROCYCLIC TETRAMIC ACIDS AND TETRONIC ACIDS BAYER CROPSCIENCE AG (DE) 2007-05-03 WO disclosed
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP disclosed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US disclosed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP disclosed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 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-20090215624-A1 Alkoxyalkyl Spirocyclic Tetramic Acids and Tetronic Acids DDT, TBCD, TBCA CA1 443/4885CA2 122/4885CA4 15/4885

“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.