SCHEMBL11029692

SCHEMBL11029692

COc1cc(OCc2ccccc2)cc2oc3ccccc3c(=O)c12

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.73
PPARG P37231 1/20 0.64
POLB P06746 1/20 0.58
NPC1 O15118 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYP1A1 P04798 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP1B1 Q16678 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL5346660 0.87 MAOA (0.72) MAOAPPARGNPC1CYP1A1CYP1A2
SCHEMBL7333754 0.85 MAOA (1.00) MAOAPPARGNPC1MEN1KMT2A
SCHEMBL11029659 0.84 POLB (0.79) MAOAPOLB
SCHEMBL27244497 0.84 PPARG (0.54) MAOAPPARGPOLBNPC1ADORA3
SCHEMBL29908967 0.84 PPARG (0.54) MAOAPPARGPOLBNPC1ADORA3
SCHEMBL31060715 0.81 MAOA (0.68) MAOAPPARGPOLBNPC1MEN1
SCHEMBL11029477 0.81 MAOA (0.68) MAOAPPARGPOLBNPC1MEN1
SCHEMBL4914778 0.79 MAOA (0.61) MAOAPOLBNPC1L3MBTL1RAB9A
SCHEMBL5349187 0.79 MAOA (0.76) MAOAPOLBNPC1RAB9A
SCHEMBL11026526 0.79 MAOA (0.65) MAOANPC1MEN1KMT2ARAB9A

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-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
EP-0137333-A2 Spiro-tricyclicaromatic succinimide derivatives as inhibitors of aldose reductase ALCON LABORATORIES, INC. (US) 1985-04-17 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-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 4052/4885PPARG 4701/4885POLB 1806/4885

“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.