SCHEMBL11030634

SCHEMBL11030634

O=c1c2cc3ccccc3cc2oc2cc(OCC3CS3)cc(OCC3CS3)c12

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.41
ADORA3 P0DMS8 3/20 0.39
XDH P47989 1/20 0.36
PGAM1 P18669 3/20 0.35
PTPN1 P18031 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL11029670 0.89 MAOA (0.54) MAOAADORA3XDHPOLB
SCHEMBL11028089 0.88 MAOA (0.47) MAOAADORA3PTPN1POLB
SCHEMBL11029063 0.87 MAOA (0.40) MAOAADORA3
SCHEMBL11028197 0.85 TDP1 (0.43) MAOAADORA3XDHPGAM1PTPN1
SCHEMBL11029434 0.85 MAOA (0.42) MAOAADORA3
SCHEMBL11031301 0.79 MAOA (0.64) MAOA
SCHEMBL20567294 0.76 L3MBTL1 (0.57) L3MBTL1POLB
SCHEMBL11028326 0.75 MAOA (0.46) MAOAADORA3POLB
SCHEMBL11029164 0.73 MAOA (0.48) MAOAADORA3PTPN1POLB
SCHEMBL20568031 0.73 PTGS1 (0.42) XDHL3MBTL1POLB

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 7 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-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-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
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
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 4052/4885ADORA3 2313/4885XDH 220/4885

“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.