SCHEMBL11031301

SCHEMBL11031301

COc1cccc2c(=O)c3c(OCC4CS4)cc(OCC4CS4)cc3oc12

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 12/20 0.64
TOP2A P11388 4/20 0.47
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
ACHE P22303 1/20 0.46
MAOB P27338 1/20 0.46
ESR1 P03372 1/20 0.38
KDM5A P29375 1/20 0.38
ESR2 Q92731 1/20 0.38
MGAM O43451 1/20 0.37

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
SCHEMBL11031797 0.90 MAOA (0.70) MAOATOP2AKDM4ENPC1ALDH1A1
SCHEMBL11029434 0.84 MAOA (0.42) MAOAKDM4EALDH1A1ACHEMAOB
SCHEMBL11029670 0.83 MAOA (0.54) MAOATOP2ANPC1RAB9AMGAM
SCHEMBL11030634 0.79 MAOA (0.41) MAOA
SCHEMBL8484364 0.79 MAOA (1.00) MAOATOP2AKDM4ENPC1ALDH1A1
SCHEMBL14466272 0.78 MAOA (0.74) MAOATOP2AKDM4ENPC1ALDH1A1
SCHEMBL11029063 0.77 MAOA (0.40) MAOANPC1RAB9A
SCHEMBL11033772 0.77 MAOA (0.71) MAOATOP2AKDM4ENPC1ALDH1A1
SCHEMBL5346660 0.77 MAOA (0.72) MAOATOP2AKDM4ENPC1ALDH1A1
SCHEMBL6285040 0.77 MAOA (0.72) MAOATOP2AKDM4ENPC1ALDH1A1

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 MAOA 4052/4885TOP2A 49/4885KDM4E 2770/4885

“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.