SCHEMBL11029982

SCHEMBL11029982

COc1cc(O)cc2oc3ccccc3c(=O)c12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.72
MGAM O43451 3/20 0.67
GAA P10253 1/20 0.67
SI P14410 1/20 0.67
MGAM2 Q2M2H8 1/20 0.67
ESR1 P03372 1/20 0.67
KDM5A P29375 1/20 0.67
ESR2 Q92731 1/20 0.67
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
NPC1 O15118 1/20 0.60
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
CYP3A4 P08684 2/20 0.55
HPGD P15428 2/20 0.55
HSD17B10 Q99714 2/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.55
CASP1 P29466 1/20 0.55

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
SCHEMBL7333754 0.84 MAOA (1.00) MAOAMEN1KMT2ANPC1KDM4E
SCHEMBL14443985 0.83 MAOA (0.74) MAOAMGAMESR1KDM5AESR2
SCHEMBL12500715 0.83 MAOA (0.64) MAOAMGAMGAASIMGAM2
SCHEMBL640746 0.82 MAOA (1.00) MAOAESR1KDM5AESR2MEN1
SCHEMBL9837650 0.81 MGAM (0.72) MAOAMGAMGAASIMGAM2
SCHEMBL2314333 0.80 MGAM (1.00) MAOAMGAMGAASIMGAM2
SCHEMBL30346407 0.80 MGAM (1.00) MAOAMGAMGAASIMGAM2
SCHEMBL28380092 0.80 MAOA (1.00) MAOAMGAMGAASIMGAM2
SCHEMBL9835098 0.79 MGAM (0.74) MAOAMGAMGAASIMGAM2
SCHEMBL31193506 0.79 MGAM (0.74) MAOAMGAMGAASIMGAM2

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 2 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

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 4052/4885MGAM 2727/4885GAA 1829/4885

“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.