SCHEMBL13452129

SCHEMBL13452129

COc1cc(C)cc(C=O)c1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.65
ACHE P22303 1/20 0.61
ALDH1A1 P00352 9/20 0.50
KDM4E B2RXH2 2/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SRC P12931 1/20 0.50
PRKDC P78527 2/20 0.46
TUBB1 Q9H4B7 2/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 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
SCHEMBL6737227 0.87 ERN1 (0.57) ERN1ACHEALDH1A1KDM4ETSHR
SCHEMBL7522554 0.82 ERN1 (0.52) ERN1ACHEALDH1A1KDM4ETSHR
SCHEMBL1002582 0.80 ALDH1A1 (0.58) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL29459646 0.80 ALDH1A1 (0.58) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL26100046 0.80 ALDH1A1 (0.52) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL3751505 0.79 ALDH1A1 (0.59) ERN1ACHEALDH1A1KDM4ETSHR
SCHEMBL11886570 0.78 ERN1 (0.62) ERN1ACHEALDH1A1KDM4ETSHR
SCHEMBL12696350 0.78 ERN1 (0.49) ERN1ACHEALDH1A1KDM4ETSHR
SCHEMBL14373006 0.78 ACHE (0.59) ERN1ACHEALDH1A1TUBB1CYP1A2
SCHEMBL881403 0.78 ERN1 (1.00) ERN1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873661-B2 Small molecule malarial Aldolase-TRAP enhancers and glideosome inhibitors NEW YORK UNIVERSITY (US) 2018-01-23 US disclosed
US-9873661-B2 Small molecule malarial Aldolase-TRAP enhancers and glideosome inhibitors NEW YORK UNIVERSITY (US) 2018-01-23 US disclosed
US-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2014-09-18 US disclosed
US-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2014-09-18 US disclosed
WO-2013063243-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS NEW YORK UNIVERSITY (US) 2013-05-02 WO disclosed
EP-1630165-B1 [1,2,4]TRIAZOLO[1,5-a]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF NIPPON KAYAKU KK (JP) 2010-03-31 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-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS ALDOA, DERA, TALDO1 ERN1 1789/4885ACHE 2045/4885ALDH1A1 204/4885

“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.