SCHEMBL11029434

SCHEMBL11029434

O=c1c2ccc3ccccc3c2oc2cc(OCC3CS3)cc(OCC3CS3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.42
CYP1B1 Q16678 6/20 0.37
CYP1A1 P04798 5/20 0.37
ACHE P22303 1/20 0.36
MAOB P27338 1/20 0.36
ADORA3 P0DMS8 2/20 0.36
ABCG2 Q9UNQ0 8/20 0.36
ABCC1 P33527 6/20 0.36
ABCB1 P08183 5/20 0.36
CYP1A2 P05177 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
PDE5A O76074 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL11029063 0.88 MAOA (0.40) MAOACYP1A1ADORA3ABCG2CYP1A2
SCHEMBL11030634 0.85 MAOA (0.41) MAOAADORA3
SCHEMBL11029670 0.85 MAOA (0.54) MAOAADORA3
SCHEMBL11031301 0.84 MAOA (0.64) MAOAACHEMAOBKDM4EALDH1A1
SCHEMBL11028326 0.76 MAOA (0.46) MAOAACHEMAOBADORA3KDM4E
SCHEMBL11031797 0.74 MAOA (0.70) MAOAACHEMAOBKDM4EALDH1A1
SCHEMBL11030012 0.74 TDP1 (0.41) MAOACYP1A1ADORA3ABCG2CYP1A2
SCHEMBL11028089 0.74 MAOA (0.47) MAOAACHEMAOBADORA3
SCHEMBL20567294 0.73 L3MBTL1 (0.57) CYP1A1ABCG2ABCB1CYP1A2KDM4E
SCHEMBL11028197 0.71 TDP1 (0.43) MAOAADORA3ALDH1A1TP53CYP3A4

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 4052/4885CYP1B1 3893/4885CYP1A1 4098/4885

“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.