SCHEMBL11029670

SCHEMBL11029670

O=c1c2ccccc2oc2cc(OCC3CS3)cc(OCC3CS3)c12

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.54
POLB P06746 1/20 0.44
ADORA3 P0DMS8 2/20 0.42
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TOP2A P11388 2/20 0.40
XDH P47989 1/20 0.39

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
SCHEMBL11030634 0.89 MAOA (0.41) MAOAPOLBADORA3XDH
SCHEMBL11029063 0.87 MAOA (0.40) MAOAADORA3NPC1RAB9A
SCHEMBL11029434 0.85 MAOA (0.42) MAOAADORA3
SCHEMBL11031301 0.83 MAOA (0.64) MAOAMGAMNPC1RAB9ATOP2A
SCHEMBL20567294 0.78 L3MBTL1 (0.57) POLBNPC1RAB9A
SCHEMBL31060715 0.77 MAOA (0.68) MAOAPOLBADORA3NPC1RAB9A
SCHEMBL11029477 0.77 MAOA (0.68) MAOAPOLBADORA3NPC1RAB9A
SCHEMBL11028089 0.76 MAOA (0.47) MAOAPOLBADORA3MGAMGAA
SCHEMBL11028326 0.75 MAOA (0.46) MAOAPOLBADORA3MGAMGAA
SCHEMBL20568031 0.75 PTGS1 (0.42) POLBXDH

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 4052/4885POLB 1806/4885ADORA3 2313/4885

“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.