SCHEMBL18026503

SCHEMBL18026503

CCC(C)(CC(C)(C)C(=O)NCCN)C(=O)NCCCOc1ccc2c(C)cc(=O)oc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.49
▸ MAOB P27338 2/20 0.49
▸ AR P10275 1/20 0.49
▸ KDM4E B2RXH2 6/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ HPGD P15428 3/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ KMT2A Q03164 6/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ PPARA Q07869 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ ACHE P22303 2/20 0.44
▸ MAPT P10636 3/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL18026505 0.89 CYP1A1 (0.49) MAOAMAOBARKDM4EALDH1A1
SCHEMBL18026501 0.86 MAOB (0.37) MAOAMAOBARKDM4EALDH1A1
SCHEMBL12617766 0.77 CYP1A1 (0.60) MAOAMAOBARKDM4EALDH1A1
SCHEMBL12617399 0.77 MAOB (0.70) MAOAMAOBARKDM4EALDH1A1
SCHEMBL7915768 0.74 ALDH1A1 (0.58) MAOAMAOBARKDM4EALDH1A1
SCHEMBL22501611 0.73 MAOB (0.68) MAOAMAOBARKDM4EALDH1A1
SCHEMBL8834751 0.73 MAOA (0.56) MAOAMAOBARKDM4EALDH1A1
SCHEMBL14680977 0.73 AR (0.59) MAOAMAOBARKDM4EALDH1A1
SCHEMBL8934483 0.72 AR (0.61) MAOAMAOBARKDM4EALDH1A1
SCHEMBL12617458 0.72 MAOB (0.67) MAOAMAOBARKDM4EALDH1A1

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 MAOA 725/4885MAOB 1243/4885AR 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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