SCHEMBL3430484

SCHEMBL3430484

COC(CNc1nc(N)nc(N)n1)OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 1/20 0.35
GLA P06280 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
ESR1 P03372 1/20 0.33
HTR7 P34969 8/20 0.32
HTR1A P08908 3/20 0.32
DRD2 P14416 3/20 0.32
HTR2A P28223 3/20 0.32
HTR6 P50406 3/20 0.32
ADRA1D P25100 2/20 0.32
ADRA1A P35348 2/20 0.32
ADRA1B P35368 2/20 0.32
HRH4 Q9H3N8 2/20 0.32
IDH1 O75874 1/20 0.32

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
SCHEMBL6575534 0.85 ESR1 (0.39) GLAESR1IDH1KDM4EMAPT
SCHEMBL9061566 0.77 ESR1 (0.55) ESR1HRH4IDH1
SCHEMBL10862760 0.77 CA1 (0.37) NPC1RAB9ATP53GLAMAPK1
SCHEMBL11396440 0.74 ALDH1A1 (0.34) ALDH1A1
SCHEMBL8379029 0.74 NPC1 (0.31) NPC1RAB9ATP53GLAMAPK1
SCHEMBL8463123 0.73 ESR1 (0.38) SMN1; SMN2CA1CA2CA9ESR1
SCHEMBL545236 0.72 CA1 (0.37) NPC1RAB9ATP53GLAMAPK1
Formaldehyde SCHEMBL11354570 0.72 ESR1 (0.50) CA1CA2CA9ESR1HRH4
SCHEMBL8426213 0.72 HTR7 (0.38) CA1CA2CA9ESR1HTR7
SCHEMBL25245215 0.71 CA1 (0.36) NPC1RAB9ATP53GLAMAPK1

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
EP-2249959-B1 PRODUCT GIVAUDAN SA (CH) 2016-04-13 EP disclosed
US-8357651-B2 Aminoplast microcapsules containing fragrance GIVAUDAN SA (CH) 2013-01-22 US disclosed
US-20100323938-A1 Product GIVAUDAN SA (CH) 2010-12-23 US disclosed
EP-2249959-A1 PRODUCT Givaudan SA (CH) 2010-11-17 EP disclosed
WO-2009100553-A1 PRODUCT GIVAUDAN SA (CH) 2009-08-20 WO disclosed
EP-1065227-B1 Color improvement of dimethoxyethanal-melamine resins CLARIANT FRANCE SA (FR) 2004-09-01 EP disclosed
EP-1065227-A3 Color improvement of dimethoxyethanal-melamine resins Clariant (France) S.A. (FR) 2002-07-31 EP disclosed
EP-1065227-A2 Color improvement of dimethoxyethanal-melamine resins Clariant (France) S.A. (FR) 2001-01-03 EP 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-20100323938-A1 Product SRM, PNMT, PFAS NPC1 4680/4885RAB9A 4121/4885TP53 844/4885

“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.