SCHEMBL14477482

SCHEMBL14477482

COc1cc2c(cc1OC)-c1cc3ccc(CO)c(OC)c3c[n+]1CC2

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.76
ACHE P22303 6/20 0.76
MAPT P10636 6/20 0.76
RAD52 P43351 5/20 0.76
KDM1A O60341 5/20 0.76
EP300 Q09472 5/20 0.76
LMNA P02545 5/20 0.76
KDM4E B2RXH2 4/20 0.76
CYP2D6 P10635 3/20 0.76
MAPK1 P28482 2/20 0.76
HIF1A Q16665 2/20 0.76
SMN1; SMN2 Q16637 4/20 0.67
POLB P06746 2/20 0.67
APP P05067 1/20 0.67
GAA P10253 1/20 0.67
TRPC5 Q9UL62 1/20 0.67
RAC1 P63000 2/20 0.65
CYP1B1 Q16678 2/20 0.65
MAOB P27338 1/20 0.64
ALDH1A1 P00352 3/20 0.61

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
SCHEMBL18472034 0.93 ACHE (0.79) CYP3A4ACHEMAPTRAD52KDM1A
SCHEMBL18472033 0.89 RAC1 (0.74) CYP3A4ACHEMAPTRAD52KDM1A
SCHEMBL13174366 0.87 CYP3A4 (0.76) CYP3A4ACHEMAPTRAD52KDM1A
SCHEMBL12641839 0.86 CYP1B1 (0.78) CYP3A4ACHEMAPTRAD52KDM1A
Palmitine SCHEMBL562120 0.86 CYP3A4 (1.00) CYP3A4ACHEMAPTRAD52KDM1A
Palmitine SCHEMBL29350054 0.86 CYP3A4 (1.00) CYP3A4ACHEMAPTRAD52KDM1A
Palmitine SCHEMBL29471136 0.86 CYP3A4 (1.00) CYP3A4ACHEMAPTRAD52KDM1A
SCHEMBL30138130 0.85 ACHE (0.89) CYP3A4ACHEMAPTRAD52KDM1A
Palmitine SCHEMBL2445279 0.85 CYP3A4 (0.98) CYP3A4ACHEMAPTRAD52KDM1A
Palmitine SCHEMBL29766942 0.85 CYP3A4 (1.00) CYP3A4ACHEMAPTRAD52KDM1A

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
US-9695193-B2 Inhibitors of Plasmodium falciparum equilibrative nucleoside transporter type I as anti-parasitic compounds THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-07-04 US disclosed
US-9341605-B2 Chemical profile of detecting bioactive components of quinones, stilbenes, flavones and alkaloids KAOHSIUNG MEDICAL UNIVERSITY (TW) 2016-05-17 US disclosed
US-20160122362-A1 INHIBITORS OF PLASMODIUM FALCIPARUM EQUILIBRATIVE NUCLEOSIDE TRANSPORTER TYPE I AS ANTI-PARASITIC COMPOUNDS UNIV COLUMBIA (US) 2016-05-05 US disclosed
US-20130000389-A1 CHEMICAL PROFILE OF DETECTING BIOACTIVE COMPONENTS OF QUINONES, STILBENES, FLAVONES AND ALKALOIDS KAOHSIUNG MEDICAL UNIVERSITY (TW) 2013-01-03 US 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-20160122362-A1 INHIBITORS OF PLASMODIUM FALCIPARUM EQUILIBRATIVE NUCLEOSIDE TRANSPORTER TYPE I AS ANTI-PARASITIC COMPOUNDS SLC29A1, SLC29A2, SLC28A1 CYP3A4 1178/4885ACHE 3634/4885MAPT 2408/4885

“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.