SCHEMBL11031411

SCHEMBL11031411

COc1cccc2c(=O)c3c(O)cc(OCC(O)CO)cc3oc12

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 9/20 0.75
MAOA P21397 9/20 0.71
ACHE P22303 1/20 0.58
MAOB P27338 1/20 0.58
MGAM O43451 1/20 0.51

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
SCHEMBL11031418 0.91 TOP2A (0.74) TOP2AMAOAACHEMAOBMGAM
SCHEMBL1273386 0.84 MAOA (0.69) TOP2AMAOAACHEMAOBMGAM
SCHEMBL7931361 0.84 MAOA (1.00) TOP2AMAOAACHEMAOBMGAM
SCHEMBL14466970 0.82 MAOA (0.76) TOP2AMAOAACHEMAOBMGAM
SCHEMBL5349187 0.82 MAOA (0.76) TOP2AMAOAACHEMAOBMGAM
SCHEMBL11029400 0.82 TOP2A (0.71) TOP2AMAOAMGAM
SCHEMBL5239227 0.82 MAOA (0.74) TOP2AMAOAACHEMAOBMGAM
SCHEMBL5348538 0.80 MAOA (0.83) TOP2AMAOAACHEMAOBMGAM
SCHEMBL30346290 0.80 MAOA (0.83) TOP2AMAOAACHEMAOBMGAM
SCHEMBL11033772 0.80 MAOA (0.71) TOP2AMAOAACHEMAOBMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120190724-A1 NOVEL ANTICANCER-AIDING COMPOUND, METHOD FOR PREPARING THE SAME, ANTICANCER-AIDING COMPOSITION CONTAINING THE SAME AND METHOD FOR REDUCING ANTICANCER DRUG RESISTANCE USING THE SAME EWHA UNIVERSITY INDUSTRY COLLABORATION FOUNDATION (KR) 2012-07-26 US claimed
US-8846749-B2 Anticancer-aiding compound, method for preparing the same, anticancer-aiding composition containing the same and method for reducing anticancer drug resistance using the same EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2014-09-30 US disclosed
US-20120190724-A1 NOVEL ANTICANCER-AIDING COMPOUND, METHOD FOR PREPARING THE SAME, ANTICANCER-AIDING COMPOSITION CONTAINING THE SAME AND METHOD FOR REDUCING ANTICANCER DRUG RESISTANCE USING THE SAME EWHA UNIVERSITY INDUSTRY COLLABORATION FOUNDATION (KR) 2012-07-26 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-20120190724-A1 NOVEL ANTICANCER-AIDING COMPOUND, METHOD FOR PREPARING THE SAME, ANTICANCER-AIDING COMPOSITION CONTAINING THE SAME AND METHOD FOR REDUCING ANTICANCER DRUG RESISTANCE USING THE SAME ABCC1, ANXA1, ANXA5 TOP2A 49/4885MAOA 4052/4885ACHE 1913/4885

“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.