SCHEMBL11029063

SCHEMBL11029063

O=c1c2c(OCC3CS3)cc(OCC3CS3)cc2oc2ccc3ccccc3c12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
ABCG2 Q9UNQ0 9/20 0.39
CYP1A1 P04798 2/20 0.38
CYP1A2 P05177 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
AHR P35869 2/20 0.37
PAX8 Q06710 2/20 0.37
FYN P06241 1/20 0.37
MAPK3 P27361 1/20 0.37
FAAH O00519 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL11028326 0.88 MAOA (0.46) MAOAADORA3PAX8NPC1RAB9A
SCHEMBL11029434 0.88 MAOA (0.42) MAOAABCG2CYP1A1CYP1A2ADORA3
SCHEMBL11030634 0.87 MAOA (0.41) MAOAADORA3
SCHEMBL11029670 0.87 MAOA (0.54) MAOAADORA3NPC1RAB9A
SCHEMBL11030012 0.86 TDP1 (0.41) MAOAABCG2CYP1A1CYP1A2ADORA3
SCHEMBL11031301 0.77 MAOA (0.64) MAOANPC1RAB9A
SCHEMBL11028089 0.75 MAOA (0.47) MAOAADORA3
SCHEMBL20567294 0.75 L3MBTL1 (0.57) ABCG2CYP1A1CYP1A2NPC1RAB9A
SCHEMBL11031831 0.74 MAOA (0.46) MAOAADORA3PAX8NPC1RAB9A
SCHEMBL11028197 0.73 TDP1 (0.43) MAOAADORA3TDP1

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 4052/4885ABCG2 144/4885CYP1A1 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.