SCHEMBL14907968

SCHEMBL14907968

CCCCOc1ccc(Cn2c(-c3ccc(OC)c(OC)c3)nc3c2c(=O)n(C)c(=O)n3C)cc1OCCCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.51
PKM P14618 1/20 0.51
HSD17B10 Q99714 2/20 0.51
HK1 P19367 1/20 0.51
HKDC1 Q2TB90 1/20 0.51
MAPT P10636 3/20 0.50
HTT P42858 3/20 0.50
ALDH1A1 P00352 3/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
USP2 O75604 1/20 0.49
LMNA P02545 3/20 0.48
HIF1A Q16665 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
KDM4E B2RXH2 2/20 0.46
XBP1 P17861 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
ADORA2A P29274 2/20 0.45
ADORA1 P30542 1/20 0.45

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
SCHEMBL14893241 0.87 HSD17B10 (0.56) SMN1; SMN2PKMHSD17B10HK1HKDC1
SCHEMBL14907906 0.82 SMN1; SMN2 (0.62) SMN1; SMN2HSD17B10MAPTHTTALDH1A1
SCHEMBL14893220 0.76 ADORA2A (0.60) SMN1; SMN2PKMHSD17B10HK1HKDC1
SCHEMBL14893212 0.76 MAOA (0.49) SMN1; SMN2PKMHSD17B10MAPTHTT
SCHEMBL15870738 0.73 ADORA2A (0.54) SMN1; SMN2PKMHTTALDH1A1LMNA
SCHEMBL14907928 0.72 SMN1; SMN2 (0.53) SMN1; SMN2HSD17B10MAPTHTTALDH1A1
SCHEMBL15870745 0.71 SMN1; SMN2 (0.52) SMN1; SMN2PKMHSD17B10MAPTHTT
SCHEMBL15869888 0.69 SMN1; SMN2 (0.49) SMN1; SMN2HSD17B10MAPTHTTALDH1A1
SCHEMBL29980740 0.69 ADORA2B (0.65) ALDH1A1KDM4EPOLBADORA2AADORA1
SCHEMBL12604450 0.69 SMN1; SMN2 (0.69) SMN1; SMN2MAPTHTTALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2753333-B1 CAFFEINATED COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES PROTAMED INC (US) 2017-06-21 EP disclosed
US-9169255-B2 Caffeinated compounds and compositions for treatment of amyloid diseases and synucleinopathies PROTEO TECH INC. (US) 2015-10-27 US disclosed
US-20140194447-A1 CAFFEINATED COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES PROTAMED, INC. 2014-07-10 US disclosed
WO-2013062762-A1 CAFFEINATED COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES PROTEOTECH INC (US) 2013-05-02 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-20140194447-A1 CAFFEINATED COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SNCA, PARK7, APP SMN1; SMN2 20/4885PKM 2728/4885HSD17B10 1479/4885

“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.