SCHEMBL3022955

SCHEMBL3022955

C#CCOC(=O)c1cc(C(=O)OCC#C)cc(C(=O)OCC#C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.59
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA9 Q16790 2/20 0.56
CA14 Q9ULX7 2/20 0.56
TSHR P16473 1/20 0.44
CYP1A2 P05177 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CYP2D6 P10635 1/20 0.44
CHRM1 P11229 1/20 0.44
NFKB1 P19838 1/20 0.44
CHRM3 P20309 1/20 0.44
THPO P40225 1/20 0.44
GSTP1 P09211 1/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL27828662 0.94 NPC1 (0.53) NPC1CA12CA1CA2CA9
SCHEMBL13023144 0.90 CA12 (0.53) NPC1CA12CA1CA2CA9
SCHEMBL5692582 0.88 NPC1 (0.61) NPC1CA12CA1CA2CA9
SCHEMBL176369 0.86 CA12 (0.71) NPC1CA12CA1CA2CA9
SCHEMBL20572690 0.86 SERPINE1 (0.63) NPC1CA12CA1CA2CA9
SCHEMBL20107471 0.86 CA12 (0.53) NPC1CA12CA1CA2CA9
SCHEMBL2289482 0.86 NPC1 (0.50) NPC1CA12CA1CA2CA9
SCHEMBL23309682 0.85 NPC1 (0.49) NPC1CA12CA1CA2CA9
SCHEMBL13314438 0.83 CA12 (0.50) NPC1CA12CA1CA2CA9
SCHEMBL9651582 0.83 NPC1 (0.47) NPC1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110627592-A Curing method of adhesive containing difluoro amino 南京理工大学 2019-12-31 CN claimed
EP-3156461-B1 UV CURABLE INKJET INKS AGFA NV (BE) 2020-04-01 EP disclosed
CN-110627592-A Curing method of adhesive containing difluoro amino 南京理工大学 2019-12-31 CN disclosed
US-10513620-B2 UV curable inkjet inks AGFA NV (BE) 2019-12-24 US disclosed
US-20190071578-A1 UV CURABLE INKJET INKS AGFA NV (BE) 2019-03-07 US disclosed
WO-2017063983-A1 UV CURABLE INKJET INKS AGFA GRAPHICS NV (BE) 2017-04-20 WO disclosed
WO-2017064033-A1 UV CURABLE INKJET INKS AGFA GRAPHICS NV (BE) 2017-04-20 WO disclosed
WO-2017063968-A1 UV CURABLE INKJET INKS AGFA GRAPHICS NV (BE) 2017-04-20 WO disclosed
EP-3156463-A1 UV CURABLE INKJET INKS AGFA GRAPHICS NV (BE) 2017-04-19 EP disclosed
EP-3156462-A1 UV CURABLE INKJET INKS AGFA GRAPHICS NV (BE) 2017-04-19 EP disclosed
EP-3156461-A1 UV CURABLE INKJET INKS AGFA GRAPHICS NV (BE) 2017-04-19 EP disclosed
US-20100181527-A1 NITROXIDE CONTAINING ELECTRODE MATERIALS FOR SECONDARY BATTERIES CIBA CORPORATION 2010-07-22 US disclosed
EP-2162937-A1 NITROXIDE CONTAINING ELECTRODE MATERIALS FOR SECONDARY BATTERIES BASF SE (DE) 2010-03-17 EP disclosed
WO-2008155247-A1 NITROXIDE CONTAINING ELECTRODE MATERIALS FOR SECONDARY BATTERIES BASF SE (CH) 2008-12-24 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-20100181527-A1 NITROXIDE CONTAINING ELECTRODE MATERIALS FOR SECONDARY BATTERIES CAT, NQO1, NUCB2 NPC1 4532/4885CA12 1821/4885CA1 1186/4885

“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.