SCHEMBL18026501

SCHEMBL18026501

CCC(C)(C)C(=O)NCCCOc1ccc2c(c1)OC(=O)C1C2(C)C2C(=O)Oc3cc(OCCCNC(=O)C(C)(CC(C)(C)C(=O)NCCN)CC(C)(CC)C(=O)NCCCOc4ccc5c(C)cc(=O)oc5c4)ccc3C12C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.37
▸ MAOA P21397 2/20 0.37
▸ AR P10275 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ACHE P22303 2/20 0.35
▸ BCHE P06276 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ RAB9A P51151 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
SCHEMBL18026503 0.86 MAOA (0.49) MAOBMAOAARKDM4EALDH1A1
SCHEMBL18026505 0.76 CYP1A1 (0.49) MAOBMAOAARKDM4EALDH1A1
SCHEMBL12617766 0.66 CYP1A1 (0.60) MAOBMAOAARKDM4EALDH1A1
SCHEMBL12617399 0.66 MAOB (0.70) MAOBMAOAARKDM4EALDH1A1
SCHEMBL14680977 0.64 AR (0.59) MAOBMAOAARKDM4EALDH1A1
SCHEMBL7915768 0.63 ALDH1A1 (0.58) MAOBMAOAARKDM4EALDH1A1
SCHEMBL22501611 0.63 MAOB (0.68) MAOBMAOAARKDM4EALDH1A1
SCHEMBL8834751 0.62 MAOA (0.56) MAOBMAOAARKDM4EALDH1A1
SCHEMBL8934483 0.62 AR (0.61) MAOBMAOAARKDM4EALDH1A1
SCHEMBL12617458 0.62 MAOB (0.67) MAOBMAOAARKDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160243047-A1 SURFACE FUNCTIONALIZED, HOST-GUEST POLYMER NANO-ASSEMBLIES AND METHODS THEREOF UNIV MASSACHUSETTS (US) 2016-08-25 — — 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-20160243047-A1 SURFACE FUNCTIONALIZED, HOST-GUEST POLYMER NANO-ASSEMBLIES AND METHODS THEREOF MSN, CD44, EPHA2 MAOB 1243/4885MAOA 725/4885AR 1038/4885

“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.

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